Regorafenib

Regorafenib

SCHEMBL2555101

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

nearest known ligand 0.98

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 0.98
BRAF known ✓ P15056 7/20 0.98
KDR known ✓ P35968 6/20 0.98
RET known ✓ P07949 3/20 0.98
ABL1 known ✓ P00519 2/20 0.98
PDGFRB known ✓ P09619 2/20 0.98
KIT known ✓ P10721 2/20 0.98
FGFR1 known ✓ P11362 2/20 0.98
PDGFRA known ✓ P16234 2/20 0.98
FLT1 known ✓ P17948 2/20 0.98
EPHA2 known ✓ P29317 2/20 0.98
FLT4 known ✓ P35916 2/20 0.98
TEK known ✓ Q02763 2/20 0.98
MAPK11 known ✓ Q15759 2/20 0.98
DDR2 known ✓ Q16832 2/20 0.98
NTRK1 known ✓ P04629 1/20 0.82
FGFR2 known ✓ P21802 1/20 0.82
FRK known ✓ P42685 1/20 0.82
RIPK2 O43353 3/20 0.98
ABCB11 O95342 2/20 0.98

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 SCHEMBL29555444 1.00 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29351376 0.99 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29349808 0.99 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL432230 0.99 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29496390 0.98 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2554008 0.98 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2552684 0.96 RAF1 (0.93) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL30433607 0.93 RAF1 (0.89) RAF1BRAFKDRRETRIPK2
SCHEMBL5086313 0.92 RAF1 (0.87) RAF1BRAFKDRRETRIPK2
SCHEMBL22627130 0.91 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102359-A1 COMBINATION TREATMENT OF DERMAL AND TRANSDERMAL FIBROTIC DISEASES, DISORDERS AND ASSOCIATED PAIN AND INFLAMMATION ERESINA LLC (US) 2026-04-16 US disclosed
CN-117050949-A Human colon adenocarcinoma regorafenib drug-resistant cell line and construction method thereof 上海交通大学医学院附属瑞金医院 2023-11-14 CN disclosed
CN-114948937-B Application of schisandrin in preparation of medicines for treating regorafenib hepatotoxicity 浙江大学智能创新药物研究院 2023-09-15 CN disclosed
CN-114948937-A Application of schisandrin in preparation of medicine for treating hepatotoxicity of regorafenib 浙江大学智能创新药物研究院 2022-08-30 CN disclosed
CN-114441663-A Method for screening protein positive compounds by using solid phase microextraction affinity selection mass spectrum 中国科学院上海药物研究所 2022-05-06 CN disclosed
US-20180311220-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS BAYER HEALTHCARE LLC (US) 2018-11-01 US disclosed
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 US disclosed
US-20170165242-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS BAYER HEALTHCARE LLC (US) 2017-06-15 US disclosed
US-20170165243-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER HEALTHCARE, LLC (US) 2017-06-15 US disclosed
EP-1793824-B1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING 4-(4-(3-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-UREIDO)-3-FLUORO-PHENOXY)-PYRIDINE-2-CARBOXYLIC ACID FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER HEALTHCARE LLC (US) 2015-11-18 EP disclosed
WO-2011130728-A1 SYNTHETIC METABOLITES OF FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION DISEASES AND CONDITIONS BAYER HEALTHCARE LLC (US) 2011-10-20 WO disclosed
US-20100267777-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2010-10-21 US disclosed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US disclosed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 EP disclosed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 WO disclosed
EP-1663978-B1 FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS BAYER PHARMACEUTICALS CORP (US) 2007-11-28 EP disclosed
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 disclosed
US-20060058358-A1 Pharmaceutical compositions for the treatment of hyper-proliferative disorders BAYER HEALTHCARE LLC 2006-03-16 US disclosed
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 disclosed
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 disclosed

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

For each of this compound's patents that has machine-readable text (9 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-20170165243-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS MKI67, CCNA1, CCND2 RAF1 147/4885BRAF 102/4885KDR 2482/4885
US-20060058358-A1 Pharmaceutical compositions for the treatment of hyper-proliferative disorders MKI67, CCNA1, CCND2 RAF1 147/4885BRAF 102/4885KDR 2482/4885
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 RAF1 59/4885BRAF 11/4885KDR 2076/4885
US-20260102359-A1 COMBINATION TREATMENT OF DERMAL AND TRANSDERMAL FIBROTIC DISEASES, DISORDERS AND ASSOCIATED PAIN AND INFLAMMATION COL2A1, COLGALT1, PLOD3 RAF1 4809/4885BRAF 4655/4885KDR 4542/4885
US-20100267777-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS KIT, KRAS, CDKN1A RAF1 91/4885BRAF 17/4885KDR 525/4885
US-20180311220-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS KIT, NRAS, KRAS RAF1 74/4885BRAF 20/4885KDR 427/4885
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 RAF1 59/4885BRAF 11/4885KDR 2076/4885
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-20170165242-A1 TREATMENT OF CANCERS WITH ACQUIRED RESISTANCE TO KIT INHIBITORS KIT, NRAS, KRAS RAF1 74/4885BRAF 20/4885KDR 427/4885

“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.