SCHEMBL3513465

SCHEMBL3513465

Cc1n[c]sc1-c1nc(C(C)(C)C)sc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
IKBKB O14920 1/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
PIK3CB P42338 3/20 0.31
PIK3CG P48736 3/20 0.31
PI4KB Q9UBF8 2/20 0.31
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL3513193 0.81 BTK (0.32) IKBKB
SCHEMBL3511495 0.80 ALDH1A1 (0.39)
SCHEMBL3514868 0.77 PIK3CA (0.32) PIK3CAPIK3CB
SCHEMBL3512953 0.76 PIK3CD (0.31) PIK3CDPIK3CA
SCHEMBL3514552 0.76 PIK3CA (0.32) PIK3CAPIK3CB
SCHEMBL3512226 0.76 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3510853 0.76 BTK (0.47) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2703536 0.75 PIK3CA (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL5519898 0.75 CNR1 (0.49) CNR1CNR2IKBKB
SCHEMBL3513647 0.75 CCNA2 (0.39) PI4KB

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 8 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
US-20100298286-A1 Organic Compounds NOVARTIS AG 2010-11-25 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
EP-2238134-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2010-10-13 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
WO-2009080705-A2 BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS 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 (2 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-20100298286-A1 Organic Compounds PIK3CA, PI4KB, PIK3CB CNR1 2031/4885CNR2 2088/4885IKBKB 190/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD CNR1 4068/4885CNR2 4058/4885IKBKB 849/4885

“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.