SCHEMBL3145680

SCHEMBL3145680

COCCOc1nc(-c2ccc3nc(NC(C)=O)cn3n2)cnc1N

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.71
PIK3CD O00329 1/20 0.47
PDGFRA P16234 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
RIPK1 Q13546 9/20 0.46

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
SCHEMBL3140553 0.89 PIK3CA (0.69) PIK3CAPIK3CDPDGFRAPIK3CBPIK3CG
SCHEMBL3141742 0.89 PIK3CA (0.68) PIK3CAPIK3CDPDGFRAPIK3CBPIK3CG
SCHEMBL3140973 0.86 PIK3CA (0.71) PIK3CAPIK3CDPDGFRAPIK3CBPIK3CG
SCHEMBL3150149 0.83 PIK3CA (1.00) PIK3CARIPK1
SCHEMBL3149976 0.83 PIK3CA (1.00) PIK3CAPIK3CDPDGFRAPIK3CBPIK3CG
SCHEMBL3263424 0.80 PIK3CA (0.91) PIK3CAPIK3CDPDGFRAPIK3CBPIK3CG
SCHEMBL13415435 0.79 PIK3CA (0.54) PIK3CAPIK3CDPDGFRAPIK3CBPIK3CG
SCHEMBL3137807 0.77 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGRIPK1
SCHEMBL3131527 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGRIPK1
SCHEMBL13415432 0.74 PIK3CA (0.77) PIK3CARIPK1

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 4 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
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 2/4885PDGFRA 361/4885

“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.