SCHEMBL3177607

SCHEMBL3177607

NC(=O)c1ccccc1-c1nc(Br)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.49
BCAT2 O15382 1/20 0.47
EIF4E P06730 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.39
NUDT1 P36639 1/20 0.38

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
SCHEMBL3180259 0.82 HTR2B (0.50) HTR2BBCAT2EIF4EACHENPC1
SCHEMBL3260631 0.81 CHRM1 (0.52) HTR2BBCAT2EIF4EACHENPC1
SCHEMBL2706854 0.81 TGFBR1 (0.51) HTR2BBCAT2EIF4EACHENPC1
SCHEMBL2227207 0.78 HTR2B (0.47) HTR2BBCAT2EIF4EACHENPC1
SCHEMBL5968562 0.78 RAB9A (0.62) BCAT2EIF4ENPC1RAB9ASMN1; SMN2
SCHEMBL1968034 0.77 HTR2B (0.46) HTR2BBCAT2EIF4EACHENPC1
SCHEMBL30263359 0.77 EIF4E (0.46) HTR2BEIF4EACHEKDM4EALDH1A1
SCHEMBL11177459 0.76 HTR2B (0.44) HTR2BBCAT2EIF4EACHENPC1
SCHEMBL30263366 0.76 KDM4E (0.45) EIF4ENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30263367 0.75 CYP19A1 (0.57) BCAT2EIF4ENPC1RAB9ASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179711-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-26 US disclosed
US-8680103-B2 Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
EP-1711481-B2 CRYSTALLINE MONOHYDRATE AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-22 EP disclosed
US-20120302750-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 US disclosed
US-8242270-B2 Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-14 US disclosed
US-7652146-B2 Process for preparing 2-aminothiazole-5-carboxamides useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
EP-1711481-B1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 EP disclosed
US-20090149650-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-11 US disclosed
US-7491725-B2 purification of crystalline N-(2-chloro-6-methylphenyl)-2-(6-(4-(3-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide (IV) using ethanol/water mixture; high efficiency, high yield process to get 2-aminothiazole-5-carboxamides using halogention reaction; by-products inhibition BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
EP-1711481-A2 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-10-18 EP disclosed
US-20060004067-A1 N-(2-chloro-6-methylphenyl)-2-(6-(4-(3-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide; high efficiency, high yield process to get 2-aminothiazole-5-carboxamides using halogention reaction; by-products inhibition; anticancer, psoriasis BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050215795-A1 Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US disclosed
WO-2005077945-A2 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-25 WO disclosed
WO-2005076990-A2 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-CARBOXAMIDES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-25 WO disclosed
US-20050176965-A1 Process for preparing 2-aminothiazole-5-carboxamides useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-11 US 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 (6 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-20120302750-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 HTR2B 948/4885BCAT2 329/4885EIF4E 712/4885
US-20060004067-A1 N-(2-chloro-6-methylphenyl)-2-(6-(4-(3-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide; high efficiency, high yield process to get 2-aminothiazole-5-carboxamides using halogention reaction; by-products inhibition; anticancer, psoriasis TYK2, BRAF, ERBB2 HTR2B 1641/4885BCAT2 857/4885EIF4E 791/4885
US-20090149650-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 HTR2B 948/4885BCAT2 329/4885EIF4E 712/4885
US-20050215795-A1 Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors MAP3K5, MAP3K2, MAP3K20 HTR2B 948/4885BCAT2 329/4885EIF4E 712/4885
US-20050176965-A1 Process for preparing 2-aminothiazole-5-carboxamides useful as kinase inhibitors CDK2, MAP3K5, MAP4K2 HTR2B 1254/4885BCAT2 499/4885EIF4E 568/4885
US-20140179711-A1 PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 HTR2B 948/4885BCAT2 329/4885EIF4E 712/4885

“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.