SCHEMBL3665078

SCHEMBL3665078

Cc1nc(C(N)=O)sc1-c1ccnc(C2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.52
PIK3CD O00329 7/20 0.52
PIK3CB P42338 7/20 0.52
PIK3CG P48736 6/20 0.52
CDK4 P11802 6/20 0.41
CDK2 P24941 6/20 0.41
CCNE1 P24864 1/20 0.41
PLK1 P53350 2/20 0.36
GSK3B P49841 1/20 0.35
AURKA O14965 2/20 0.35
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35
AURKB Q96GD4 1/20 0.35
CDK1 P06493 1/20 0.34

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
SCHEMBL3664160 0.95 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL3233602 0.85 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL29011726 0.82 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL3661249 0.81 KDM4E (0.49) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL1939694 0.80 CDK4 (0.50) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL3231028 0.80 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL3232973 0.79 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL1884399 0.78 PIK3CG (0.61) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3237122 0.77 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL3232487 0.77 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 4/4885

“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.