Regorafenib

Regorafenib

SCHEMBL432230

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BRAFDDR2EPHA2FGFR1FGFR2FLT1FLT4FRKKDRKITMAPK11NTRK1PDGFRAPDGFRBRAF1RETTEK

The experimentally established mechanism targets of Regorafenib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 known ✓ P04049 12/20 1.00
BRAF known ✓ P15056 7/20 1.00
KDR known ✓ P35968 6/20 1.00
RET known ✓ P07949 3/20 1.00
ABL1 known ✓ P00519 2/20 1.00
PDGFRB known ✓ P09619 2/20 1.00
KIT known ✓ P10721 2/20 1.00
FGFR1 known ✓ P11362 2/20 1.00
PDGFRA known ✓ P16234 2/20 1.00
FLT1 known ✓ P17948 2/20 1.00
EPHA2 known ✓ P29317 2/20 1.00
FLT4 known ✓ P35916 2/20 1.00
TEK known ✓ Q02763 2/20 1.00
MAPK11 known ✓ Q15759 2/20 1.00
DDR2 known ✓ Q16832 2/20 1.00
NTRK1 known ✓ P04629 1/20 0.83
FGFR2 known ✓ P21802 1/20 0.83
FRK known ✓ P42685 1/20 0.83
RIPK2 O43353 3/20 1.00
ABCB11 O95342 2/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Regorafenib SCHEMBL29351376 1.00 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29349808 1.00 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29496390 0.99 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2554008 0.99 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29555444 0.99 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2555101 0.99 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2552684 0.97 RAF1 (0.93) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL30433607 0.94 RAF1 (0.89) RAF1BRAFKDRRETRIPK2
SCHEMBL5086313 0.93 RAF1 (0.87) RAF1BRAFKDRRETRIPK2
SCHEMBL22627130 0.92 RAF1 (0.85) RAF1BRAFKDRRETRIPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 646 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951166-B2 Combination of regorafenib and PD-1/PD-L1(2) inhibitors for treating cancer BAYER AKTIENGESELLSCHAFT (DE) 2024-04-09 US claimed
US-11723929-B2 Methods of improving cell-based therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-15 US claimed
EP-2786750-B2 AGENT FOR REDUCING ADVERSE SIDE EFFECTS OF KINASE INHIBITOR EA PHARMA CO LTD (JP) 2023-06-28 EP claimed
US-11517622-B2 Combination of regorafenib and PD-1/PD-L1(2) inhibitors for treating cancer BAYER HEALTHCARE LLC (US) 2022-12-06 US claimed
US-11339207-B2 Methods and compounds for the treatment or prevention of severe influenza ORPH PHARMA IP COMPANY LIMITED (GB) 2022-05-24 US claimed
US-20220133888-A1 COMBINATION OF REGORAFENIB AND PD-1/PD-L1(2) INHIBITORS FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2022-05-05 US claimed
US-20210145891-A1 METHODS OF IMPROVING CELL-BASED THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 US claimed
WO-2018231702-A1 METHODS OF IMPROVING CELL-BASED THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-12-20 WO claimed
US-10144710-B2 Process for the preparation of 4-[-({[4-choloro-3(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide and its polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2018-12-04 US claimed
US-20180311220-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS BAYER HEALTHCARE LLC (US) 2018-11-01 US claimed
EP-1663978-A2 FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
EP-1636585-A2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY Bayer Pharmaceuticals Corporation (US) 2006-03-22 EP claimed
US-20060058358-A1 Pharmaceutical compositions for the treatment of hyper-proliferative disorders BAYER HEALTHCARE LLC 2006-03-16 US claimed
EP-1626714-A2 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR Bayer Pharmaceuticals Corporation (US) 2006-02-22 EP claimed
US-20050059703-A1 Treating, ameliorating, preventing, or modulating restenosis following angioplastic surgery, injure the vascular system; a salt of N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea; intravascular stent is impregnated with the compound to inhibit restenosis BAYER HEALTHCARE LLC 2005-03-17 US claimed
US-20050038080-A1 Fluoro substituted omega-carboxyaryl diphenyl urea for the treatment and prevention of diseases and conditions BAYER HEALTHCARE LLC 2005-02-17 US claimed
US-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders BAYER HEALTHCARE LLC 2005-02-10 US claimed
WO-2005009961-A2 FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO claimed
WO-2005000284-A2 DIARYL UREAS FOR DISEASES MEDIATED BY PDGFR BAYER PHARMACEUTICALS CORPORATION (US) 2005-01-06 WO claimed
WO-2004113274-A2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-12-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059703-A1 Treating, ameliorating, preventing, or modulating restenosis following angioplastic surgery, injure the vascular system; a salt of N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea; intravascular stent is impregnated with the compound to inhibit restenosis PDGFRB, PDGFRA, PDGFA RAF1 761/4885BRAF 1489/4885KDR 14/4885
US-10144710-B2 Process for the preparation of 4-[-({[4-choloro-3(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide and its polymorphs thereof CYP4X1, CYP4B1, CYP4F12 RAF1 4071/4885BRAF 3527/4885KDR 4062/4885
US-11723929-B2 Methods of improving cell-based therapy EPHX1, EPHX2, NCEH1 RAF1 3766/4885BRAF 3924/4885KDR 861/4885
US-20060058358-A1 Pharmaceutical compositions for the treatment of hyper-proliferative disorders MKI67, CCNA1, CCND2 RAF1 147/4885BRAF 102/4885KDR 2482/4885
US-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders HYOU1, HIF1A, HCAR2 RAF1 4134/4885BRAF 4094/4885KDR 62/4885
US-11951166-B2 Combination of regorafenib and PD-1/PD-L1(2) inhibitors for treating cancer PDCD1, CD274, PDCD1LG2 RAF1 18/4885BRAF 9/4885KDR 1071/4885
US-20220133888-A1 COMBINATION OF REGORAFENIB AND PD-1/PD-L1(2) INHIBITORS FOR TREATING CANCER PDCD1, CD274, PDCD1LG2 RAF1 18/4885BRAF 9/4885KDR 1071/4885
US-20180311220-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS KIT, NRAS, KRAS RAF1 74/4885BRAF 20/4885KDR 427/4885
US-20210145891-A1 METHODS OF IMPROVING CELL-BASED THERAPY EPHX1, EPHX2, NCEH1 RAF1 3766/4885BRAF 3924/4885KDR 861/4885
US-11339207-B2 Methods and compounds for the treatment or prevention of severe influenza CXCL10, MAPK10, MAPK1 RAF1 223/4885BRAF 477/4885KDR 1131/4885
US-20050038080-A1 Fluoro substituted omega-carboxyaryl diphenyl urea for the treatment and prevention of diseases and conditions FLT4, FLT1, PDGFRB RAF1 14/4885BRAF 7/4885KDR 5/4885
US-11517622-B2 Combination of regorafenib and PD-1/PD-L1(2) inhibitors for treating cancer PDCD1, CD274, PDCD1LG2 RAF1 18/4885BRAF 9/4885KDR 1071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.