SCHEMBL2835239

SCHEMBL2835239

CC(=O)Nc1nc(-c2sc(CC(N)=O)nc2C)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.64
PI4KB Q9UBF8 5/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
GFER P55789 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL2840142 0.85 PIK3CG (0.69) PIK3CGPI4KBMEN1KMT2APOLB
SCHEMBL16434433 0.80 PI4KB (0.68) PIK3CGPI4KBMEN1KMT2APOLB
SCHEMBL15940392 0.78 MAPT (0.55) PIK3CGPI4KBMEN1KMT2APOLB
SCHEMBL15940390 0.78 MEN1 (0.53) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5427675 0.78 PIK3CG (1.00) PIK3CGPI4KBMEN1KMT2APOLB
SCHEMBL15940389 0.77 PIK3CG (0.58) PIK3CGPI4KBMEN1KMT2AKDM4E
SCHEMBL15940233 0.77 PIK3CG (0.69) PIK3CGPI4KBMEN1KMT2AKDM4E
SCHEMBL16440407 0.77 RORC (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5427687 0.76 PI4KB (0.77) PIK3CGPI4KBMEN1KMT2APOLB
SCHEMBL2834219 0.74 PIK3CG (0.63) PIK3CGPI4KBMEN1KMT2APOLB

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 3 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
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

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 1076/4885PI4KB 1541/4885MEN1 2916/4885

“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.