SCHEMBL513126

SCHEMBL513126

COc1ccc(C(N)=S)cn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.68
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
ABCB1 P08183 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
KLK3 P07288 1/20 0.39
KDM4E B2RXH2 2/20 0.39
OXTR P30559 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
Hydrochloric Acid SCHEMBL2079102 0.98 NNMT (0.66) NNMTMKNK1MKNK2ABCB1SIRT6
SCHEMBL13116536 0.81 MAPT (0.62) NNMTMKNK1MKNK2ABCB1MAPT
SCHEMBL71905 0.81 NNMT (1.00) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL29975550 0.81 NNMT (1.00) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL1924984 0.81 NNMT (0.68) NNMTMKNK1MKNK2SIRT6
SCHEMBL3816353 0.80 NNMT (0.45) NNMTMKNK1MKNK2ABCB1RAB9A
Hydrochloric Acid SCHEMBL23906967 0.79 NNMT (0.66) NNMTMKNK1MKNK2
Hydrochloric Acid SCHEMBL31152512 0.79 NNMT (0.66) NNMTMKNK1MKNK2
Hydrochloric Acid SCHEMBL6234386 0.79 NNMT (0.96) NNMTMKNK1MKNK2SIRT6MAOA
Hydrochloric Acid SCHEMBL5013391 0.79 NNMT (0.96) NNMTMKNK1MKNK2SIRT6MAOA

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
WO-2020125615-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY LIANG PENG (CN) 2013-04-25 US disclosed
EP-2231652-B1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Pharma AG (DE) 2012-05-30 EP disclosed
US-8148411-B2 2-hetarylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-03 US disclosed
US-8148411-B2 2-hetarylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-03 US disclosed
US-8148411-B2 2-hetarylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-03 US disclosed
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 US disclosed
WO-2011130921-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-10-27 WO disclosed
US-8039487-B2 Piperidine-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER SCHERING PHARMA AG (DE) 2009-08-13 US disclosed
WO-2009074246-A1 NOVEL 2-HETARYL THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
EP-2070924-A1 New 2 hetarylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed
EP-2070924-A1 New 2 hetarylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 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 (5 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-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B NNMT 3208/4885MKNK1 2412/4885MKNK2 2007/4885
US-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 NNMT 105/4885MKNK1 1842/4885MKNK2 2228/4885
US-20130102605-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, PIK3CD, AKT2 NNMT 1643/4885MKNK1 103/4885MKNK2 101/4885
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 NNMT 1244/4885MKNK1 4511/4885MKNK2 4423/4885
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CNR2, CYP11B2, CYP2C19 NNMT 659/4885MKNK1 3954/4885MKNK2 3226/4885

“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.