SCHEMBL2839756

SCHEMBL2839756

Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(CC#N)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.45
PIK3CA P42336 5/20 0.45
PIK3CB P42338 3/20 0.45
PIK3CD O00329 3/20 0.45
PI4KB Q9UBF8 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2831368 0.81 PIK3CG (0.64) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB
SCHEMBL2832412 0.78 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB
SCHEMBL16434173 0.77 TRPV4 (0.51) PI4KBMEN1POLBKMT2AKDM4E
SCHEMBL2831609 0.77 PI4KB (0.50) PIK3CGPI4KBMEN1KMT2AKDM4E
SCHEMBL2839918 0.76 PI4KB (0.51) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB
SCHEMBL1885511 0.76 PIK3CD (0.47) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB
SCHEMBL2832324 0.76 PIK3CA (0.48) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB
SCHEMBL2832417 0.76 PIK3CG (0.46) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB
SCHEMBL2833137 0.75 PI4KB (0.52) PIK3CGPI4KBMEN1KMT2AKDM4E
SCHEMBL16872688 0.75 PI4KB (0.46) PIK3CGPIK3CAPIK3CBPIK3CDPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 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 (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-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 PIK3CG 1076/4885PIK3CA 736/4885PIK3CB 746/4885

“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.