SCHEMBL400592

SCHEMBL400592

CNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.58
RAF1 P04049 7/20 0.56
EPHX2 P34913 3/20 0.56
BRAF P15056 9/20 0.53
ABL1 P00519 4/20 0.53
RIPK2 O43353 3/20 0.52
RET P07949 3/20 0.52
EPHA2 P29317 3/20 0.52
MAPK14 Q16539 3/20 0.52
MAP3K20 Q9NYL2 3/20 0.52
ABCB11 O95342 2/20 0.52
HTR1A P08908 2/20 0.52
PDGFRB P09619 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
KIT P10721 2/20 0.52
FGFR1 P11362 2/20 0.52
PDGFRA P16234 2/20 0.52
FLT1 P17948 2/20 0.52
MAOA P21397 2/20 0.52
EPHA1 P21709 2/20 0.52

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
SCHEMBL29396481 1.00 KDR (0.58) KDRRAF1EPHX2BRAFABL1
Water SCHEMBL2991434 0.99 KDR (0.57) KDRRAF1EPHX2BRAFABL1
SCHEMBL14629918 0.91 KDR (0.49) KDRRAF1EPHX2BRAFABL1
SCHEMBL29376840 0.91 KDR (0.49) KDRRAF1EPHX2BRAFABL1
SCHEMBL30078261 0.90 KDR (0.61) KDRRAF1EPHX2BRAFABL1
SCHEMBL6387865 0.90 KDR (0.61) KDRRAF1EPHX2BRAFABL1
SCHEMBL6427214 0.88 KDR (0.59) KDRRAF1EPHX2BRAFABL1
SCHEMBL940461 0.88 KDR (0.62) KDRRAF1EPHX2BRAFABL1
SCHEMBL29834753 0.86 ABL1 (0.46) KDRRAF1EPHX2BRAFABL1
SCHEMBL28407666 0.86 GRM5 (0.44) KDRRAF1EPHX2BRAFABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315710-B Method for preparing or purifying regorafenib 江苏豪森药业集团有限公司 2024-04-26 CN claimed
CN-114315710-A Method for preparing or purifying regorafenib 江苏豪森药业集团有限公司 2022-04-12 CN claimed
CN-112679424-A Synthesis method of regorafenib 苏州特瑞药业有限公司 2021-04-20 CN claimed
CN-105777625-B Method for preparing 4- (4-amino-3-fluorophenoxy) -N-methylpyridine-2-formamide 浙江海正药业股份有限公司 2020-05-22 CN claimed
US-20190300484-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF REGORAFENIB NATCO PHARMA LTD (IN) 2019-10-03 US claimed
CN-110183377-A A kind of synthetic method of anticancer drug Rui Gefeini 浙江工业大学上虞研究院有限公司 2019-08-30 CN 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-10081599-B2 Preparation method of 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-formamide ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2018-09-25 US claimed
US-20170334856-A1 PREPARATION METHOD OF 4-(4-AMINO-3-FLUOROPHENOXY)-N-METHYLPYRIDINE-2-FORMAMIDE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-11-23 US claimed
EP-3243508-A1 COATED PHARMACEUTICAL COMPOSITION CONTAINING REGORAFENIB Bayer Healthcare LLC (US) 2017-11-15 EP claimed
WO-2015049698-A2 PROCESS FOR REGORAFENIB HETERO RESEARCH FOUNDATION (IN) 2015-04-09 WO claimed
WO-2015011659-A1 CRYSTALLINE POLYMORPHIC FORMS OF REGORAFENIB AND PROCESSES FOR THE PREPARATION OF POLYMORPH I OF REGORAFENIB DR. REDDYS LABORATORIES LIMITED (IN) 2015-01-29 WO claimed
US-20140221661-A1 PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-07 US claimed
US-20140065212-A1 COATED PHARMACEUTICAL COMPOSITION CONTAINING REGORAFENIB BAYER HEALTHCARE LLC (US) 2014-03-06 US claimed
US-20130116442-A1 PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-09 US claimed
EP-2558448-A1 PROCESS FOR THE PREPARATION OF 4- {4-[({[4 -CHLORO-3 -(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE Bayer HealthCare LLC (US) 2013-02-20 EP claimed
WO-2011128261-A1 PROCESS FOR THE PREPARATION OF 4- {4-[({[4 -CHLORO-3 -(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-20 WO claimed
US-20100113533-A1 Polymorph II of 4-[4-(Amino)-3- Fluorophenoxy]-N-Methylpyridine-2-Carboxamide BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US claimed
EP-2089363-A1 POLYMORPH II OF 4-[4-({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)-3-FLUOROPHENOXY]N-METHYLPYRIDINE-2-CARBOXAMIDE Bayer Schering Pharma Aktiengesellschaft (DE) 2009-08-19 EP claimed
WO-2008058644-A1 POLYMORPH II OF 4-[4-({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)-3-FLUOROPHENOXY]-N-METHYLPYRIDINE-2-CARBOXAMIDE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 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 (8 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-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 KDR 4062/4885RAF1 4071/4885EPHX2 624/4885
US-20190300484-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF REGORAFENIB KRAS, NRAS, HRAS KDR 91/4885RAF1 15/4885EPHX2 1487/4885
US-20170334856-A1 PREPARATION METHOD OF 4-(4-AMINO-3-FLUOROPHENOXY)-N-METHYLPYRIDINE-2-FORMAMIDE MTAP, KCNH2, KCNN4 KDR 2483/4885RAF1 2868/4885EPHX2 1969/4885
US-20140221661-A1 PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE ACMSD, DNPEP, CPS1 KDR 2111/4885RAF1 2344/4885EPHX2 1455/4885
US-20100113533-A1 Polymorph II of 4-[4-(Amino)-3- Fluorophenoxy]-N-Methylpyridine-2-Carboxamide CYP3A4, CYP1A2, CYP3A5 KDR 3733/4885RAF1 3449/4885EPHX2 1661/4885
US-20140065212-A1 COATED PHARMACEUTICAL COMPOSITION CONTAINING REGORAFENIB KRAS, NRAS, BRAF KDR 21/4885RAF1 27/4885EPHX2 2473/4885
US-20130116442-A1 PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE ACMSD, DNPEP, CPS1 KDR 2454/4885RAF1 2574/4885EPHX2 2535/4885
US-10081599-B2 Preparation method of 4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-formamide MTAP, KCNH2, KCNN4 KDR 2483/4885RAF1 2868/4885EPHX2 1969/4885

“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.