SCHEMBL3663885

SCHEMBL3663885

CCc1nccc(-c2sc(C(N)=O)nc2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.43
CDK2 P24941 9/20 0.43
CCNE1 P24864 1/20 0.43
PIK3CA P42336 8/20 0.40
PIK3CD O00329 5/20 0.37
PIK3CB P42338 5/20 0.37
PIK3CG P48736 5/20 0.37
PLK1 P53350 3/20 0.37
AURKA O14965 4/20 0.36
CDK7 P50613 4/20 0.36
CDK9 P50750 4/20 0.36
AURKB Q96GD4 4/20 0.36
CDK1 P06493 3/20 0.36
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CDC7 O00311 2/20 0.34
PLK4 O00444 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
SCHEMBL3664119 0.86 CDK4 (0.40) CDK4CDK2CCNE1PIK3CAPIK3CD
SCHEMBL3665996 0.86 PIK3CA (0.40) CDK4CDK2CCNE1PIK3CAPIK3CD
SCHEMBL3669248 0.84 PIK3CA (0.46) CDK4CDK2CCNE1PIK3CAAURKB
SCHEMBL3231028 0.84 PIK3CA (0.56) CDK4CDK2CCNE1PIK3CAPIK3CD
SCHEMBL3661249 0.83 KDM4E (0.49) CDK4CDK2CCNE1PIK3CAPIK3CD
SCHEMBL3232503 0.82 PIK3CA (0.53) CDK4CDK2CCNE1PIK3CAPIK3CD
SCHEMBL3665136 0.81 IKBKB (0.42) CDK4CDK2CCNE1PIK3CAKDM4E
SCHEMBL3665415 0.81 DGAT1 (0.41) CDK4CDK2CCNE1PIK3CACDK7
SCHEMBL3668513 0.80 PIK3CA (0.43) CDK4CDK2CCNE1PIK3CAPIK3CD
SCHEMBL1939585 0.79 CDK4 (0.52) CDK4CDK2CCNE1PLK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185138-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND METFORMIN HYDROCHLORIDE Takeda Pharmaceutical Company Limited (JP) 2010-05-19 EP claimed
WO-2009011451-A1 SOLID PREPARATION COMPRISING ALOGLIPTIN AND METFORMIN HYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-22 WO claimed
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 CDK4 199/4885CDK2 124/4885CCNE1 1624/4885

“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.