Regorafenib

Regorafenib

SCHEMBL29496390

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

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 SCHEMBL2554008 1.00 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29349808 0.99 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29351376 0.99 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL432230 0.99 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL2555101 0.98 RAF1 (0.98) RAF1BRAFKDRRETRIPK2
Regorafenib SCHEMBL29555444 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117427071-A Application of Regorafenib monohydrate in preparation of anti-new coronavirus drugs 上海交通大学医学院 2024-01-23 CN claimed
WO-2026090174-A1 COMPOSITIONS FOR TARGETED DELIVERY OF THERAPEUTIC AGENTS AND METHODS FOR THE SYNTHESIS AND USE THEREOF BRYET US, INC. (US) 2026-04-30 WO disclosed
EP-4731793-A2 COMPOSITIONS COMPRISING ANTINEOPLASTONS AND METHODS OF TREATING PANCREATIC CANCER Burzynski, Stanislaw R. (US) 2026-04-29 EP disclosed
EP-4731792-A2 COMPOSITIONS COMPRISING ANTINEOPLASTONS AND METHODS OF TREATING LUNG CANCER Burzynski, Stanislaw R. (US) 2026-04-29 EP disclosed
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
EP-4558505-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-05-28 EP disclosed
WO-2025100428-A1 COMBINATION OF ANTI-CD147 ANTIBODY AND ANOTHER ANTITUMOR AGENT 第一三共株式会社 2025-05-15 WO disclosed
CN-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 CN disclosed
CN-115112777-B Method for analyzing related substances of regorafenib intermediate 南京正大天晴制药有限公司 2025-03-25 CN disclosed
WO-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 WO disclosed
WO-2022197898-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2022-09-22 WO disclosed
CN-114945378-A Feeder-layer and feeder-layer-free stem cell culture systems for stratified epithelial stem cells and uses related thereto 休斯敦大学体系 2022-08-26 CN disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
EP-4041259-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2022-08-17 EP disclosed
WO-2022164789-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS SCHRÖDINGER, INC. (US) 2022-08-04 WO disclosed
EP-4021449-A1 STING MODULATORS, COMPOSITIONS, AND METHODS OF USE University of South Florida (US) 2022-07-06 EP disclosed
US-20220202788-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2022-06-30 US disclosed
CN-108349969-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阵列生物制药公司 2022-05-10 CN disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 CN disclosed
WO-2022055963-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. (US) 2022-03-17 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 (2 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-20220202788-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF RAF1 127/4885BRAF 3/4885KDR 517/4885
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

“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.