SCHEMBL13415565

SCHEMBL13415565

CCN1N=C(CCNC(=O)Nc2nc3ccc(-c4cnc(N)c(C(F)(F)F)c4)cn3n2)NN1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.45
PIK3CG P48736 16/20 0.44
PIK3CD O00329 15/20 0.44
PIK3CB P42338 11/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MTOR P42345 1/20 0.41
TTK P33981 1/20 0.41

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
SCHEMBL14436810 0.86 PIK3CA (0.62) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL13415563 0.85 PIK3CA (0.44) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL13415564 0.80 PIK3CA (0.44) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL14436809 0.77 PIK3CA (0.64) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL13415560 0.71 LRRK2 (0.34) PIK3CA
SCHEMBL3140620 0.70 PIK3CA (0.63) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL3264949 0.69 PIK3CA (0.45) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL1303275 0.68 PIK3CG (0.52) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL938095 0.68 PIK3CA (0.53) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL3146588 0.67 PIK3CA (0.64) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3

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 1/4885PIK3CG 4/4885PIK3CD 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.