SCHEMBL3661132

SCHEMBL3661132

Cc1ccc(CC(C)(C)c2nccc(-c3sc(C(N)=O)nc3C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 3/20 0.40
FAAH O00519 1/20 0.38
CDK4 P11802 4/20 0.36
CDK2 P24941 4/20 0.36
CCNE1 P24864 1/20 0.36
AURKA O14965 2/20 0.34
CDK1 P06493 2/20 0.34
CDK7 P50613 2/20 0.34
CDK9 P50750 2/20 0.34
AURKB Q96GD4 1/20 0.34
GPR52 Q9Y2T5 1/20 0.32
NR3C2 P08235 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL3665081 0.90 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3668513 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3232956 0.84 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3661134 0.83 CDK4 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL3162020 0.83 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL13358975 0.81 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3232125 0.79 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3665106 0.79 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3240860 0.79 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGFAAH
SCHEMBL3661249 0.75 KDM4E (0.49) 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.