SCHEMBL3661251

SCHEMBL3661251

Cc1nccc(-c2sc(N)nc2C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.57
CDK2 P24941 9/20 0.57
CCNE1 P24864 4/20 0.57
PLK1 P53350 1/20 0.57
RAB9A P51151 6/20 0.55
GAA P10253 5/20 0.55
KDM4E B2RXH2 3/20 0.55
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
AURKA O14965 4/20 0.48
CDK9 P50750 4/20 0.48
CDK1 P06493 3/20 0.48
AURKB Q96GD4 3/20 0.48
CCNT1 O60563 2/20 0.48
ABL1 P00519 2/20 0.48
GSK3B P49841 2/20 0.48
CDK5 Q00535 2/20 0.48
CLK1 P49759 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48

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
SCHEMBL22684842 0.86 CDK4 (0.76) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1886636 0.82 CDK4 (0.61) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1891931 0.81 CDK4 (0.52) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL22684873 0.81 CDK2 (0.66) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1939194 0.81 CDK4 (0.52) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1939585 0.81 CDK4 (0.52) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1888770 0.81 CDK4 (0.52) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1939106 0.80 CDK2 (0.51) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL1939694 0.79 CDK4 (0.50) CDK4CDK2CCNE1PLK1RAB9A
SCHEMBL15653814 0.79 CDK4 (0.50) CDK4CDK2CCNE1PLK1RAB9A

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 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.