SCHEMBL3510853

SCHEMBL3510853

Cc1n[c]sc1-c1nc(C2CCC2)sc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.47
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3512226 0.78 PIK3CD (0.36) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3513647 0.77 CCNA2 (0.39) MAPTALDH1A1
SCHEMBL3513193 0.76 BTK (0.32) BTK
SCHEMBL3513465 0.76 CNR1 (0.37) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3513694 0.75 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL3511495 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3514552 0.74 PIK3CA (0.32) PIK3CAPIK3CB
SCHEMBL3514868 0.72 PIK3CA (0.32) PIK3CAPIK3CB
SCHEMBL3512953 0.72 PIK3CD (0.31) PIK3CDPIK3CA
SCHEMBL26632556 0.71 BTK (0.42) BTKKDM4ENPC1MAPTHTT

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 BTK 23/4885PIK3CD 7/4885PIK3CA 1/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD BTK 45/4885PIK3CD 3/4885PIK3CA 2/4885

“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.