SCHEMBL3141801

SCHEMBL3141801

CC(=O)Nc1cn2cc(-c3cnc(N)c(C(=O)NCCNS(C)(=O)=O)n3)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.61
PIK3CD O00329 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
PDGFRA P16234 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
ATR Q13535 6/20 0.44
GSK3B P49841 3/20 0.44
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
PRKDC P78527 2/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL3137811 0.89 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3147091 0.84 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3141223 0.78 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3150226 0.77 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3142070 0.76 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3146450 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3149976 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3146251 0.75 PIK3CA (0.61) PIK3CA
SCHEMBL3263424 0.75 PIK3CA (0.91) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA
SCHEMBL3146341 0.75 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885

“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.