SCHEMBL3156596

SCHEMBL3156596

Cc1nc(C(N)=O)sc1-c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
GPR52 Q9Y2T5 5/20 0.41
MAPK14 Q16539 1/20 0.41
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
RORB Q92753 2/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CB P42338 4/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
TBK1 Q9UHD2 1/20 0.37
GSK3B P49841 1/20 0.37
POLQ O75417 1/20 0.35
CYP19A1 P11511 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL3491367 0.82 PIK3CA (0.55) GPR52PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL688062 0.80 CDC7 (0.46) CCNCCDK8MAPK14PIK3CDPIK3CB
SCHEMBL2703529 0.79 PIK3CA (0.54) GPR52PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL1883531 0.79 MAPK14 (0.45) MAPK14PIK3CGCYP19A1
SCHEMBL15550748 0.78 PIK3CA (0.56) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL924512 0.76 PIK3CG (0.61) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL10365452 0.76 CYP3A4 (0.38) GPR52PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL3164908 0.75 IKBKB (0.38) GPR52PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL3143365 0.74 PIK3CD (0.53) GPR52PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL4033143 0.74 PIK3CD (0.65) GPR52PIK3CDPIK3CBPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 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 (2 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B CCNC 852/4885CDK8 408/4885GPR52 3461/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C CCNC 832/4885CDK8 402/4885GPR52 3632/4885

“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.