SCHEMBL3669248

SCHEMBL3669248

Cc1nc(C(N)=O)sc1-c1ccnc(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.46
ROCK1 Q13464 5/20 0.43
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
COMT P21964 1/20 0.39
FAAH O00519 1/20 0.39
CCNE1 P24864 1/20 0.39
MAPT P10636 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CDC7 O00311 2/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38

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
SCHEMBL3663885 0.84 CDK4 (0.43) PIK3CAROCK1CDK4CDK2CCNE1
SCHEMBL3665415 0.83 DGAT1 (0.41) PIK3CAROCK1CDK4CDK2CCNE1
SCHEMBL1939326 0.82 MAPT (0.51) PIK3CAROCK1CDK4CDK2COMT
SCHEMBL3664119 0.81 CDK4 (0.40) PIK3CAROCK1CDK4CDK2CCNE1
SCHEMBL3665996 0.81 PIK3CA (0.40) PIK3CAROCK1CDK4CDK2CCNE1
SCHEMBL3231028 0.79 PIK3CA (0.56) PIK3CAROCK1CDK4CDK2CCNE1
SCHEMBL3661249 0.79 KDM4E (0.49) PIK3CACDK4CDK2CCNE1KDM4E
SCHEMBL3665136 0.76 IKBKB (0.42) PIK3CAROCK1CDK4CDK2CCNE1
SCHEMBL3228952 0.75 CDC7 (0.47) PIK3CACDK4CDK2CCNE1ALDH1A1
SCHEMBL3232503 0.75 PIK3CA (0.53) PIK3CACDK4CDK2CCNE1KDM4E

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 2/4885ROCK1 215/4885CDK4 199/4885

“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.