SCHEMBL2487987

SCHEMBL2487987

NC(=O)c1ccccc1-c1cncs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
BCAT2 O15382 1/20 0.49
CHEK1 O14757 2/20 0.45
CHEK2 O96017 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
RIPK2 O43353 1/20 0.41
IDO1 P14902 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL31227380 1.00 PIK3CD (0.52) PIK3CDBCAT2CHEK1CHEK2NPC1
SCHEMBL19894025 0.85 RAB9A (0.45) PIK3CDNPC1RAB9AIDO1KDM4E
SCHEMBL1685064 0.84 PIK3CD (0.46) PIK3CDBCAT2CHEK1CHEK2CSNK1A1
SCHEMBL8875529 0.83 IDO1 (0.40) PIK3CDCHEK1CHEK2NPC1DYRK1B
SCHEMBL23924041 0.81 PIK3CD (0.51) PIK3CDBCAT2CHEK1CHEK2CSNK1A1
SCHEMBL22383448 0.81 IDO1 (0.42) PIK3CDCHEK1CHEK2DYRK1BIDO1
SCHEMBL5509071 0.80 MEN1 (0.53) PIK3CDNPC1RAB9AALOX5APIDO1
SCHEMBL23924040 0.78 GRM5 (0.48) PIK3CDBCAT2CHEK1CHEK2CSNK1A1
SCHEMBL30761163 0.76 CHEK1 (0.45) PIK3CDCHEK1CHEK2DYRK1BIDO1
SCHEMBL30761165 0.76 CHEK1 (0.45) PIK3CDCHEK1CHEK2DYRK1BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP claimed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO claimed
EP-1966174-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007071955-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
CN-102532123-A Thiazole-5-methanamide compound and preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2012-07-04 CN disclosed
EP-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
CN-100562521-C Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC (US) 2009-11-25 CN disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed
US-20080312206-A1 Chemical Compounds-149 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
CN-101001861-A Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase i epsilon AVENTIS PHARMA INC (US) 2007-07-18 CN 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 (1 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-20080312206-A1 Chemical Compounds-149 CSF3R, CSF1R, FLT3 PIK3CD 506/4885BCAT2 1692/4885CHEK1 215/4885

“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.