SCHEMBL13415564

SCHEMBL13415564

CCN1N=C(CCNC(=O)Nc2nc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn3c2F)NN1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.44
TNF P01375 2/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
RIPK1 Q13546 6/20 0.36
MAP3K12 Q12852 1/20 0.34
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13415563 0.86 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL14436810 0.85 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13415565 0.80 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL14436809 0.76 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL3264949 0.70 PIK3CA (0.45) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3142727 0.64 PIK3CA (0.81) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3140620 0.63 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13415457 0.63 PIK3CA (0.55) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3515087 0.63 TNF (0.69) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL14436382 0.62 PIK3CA (0.78) PIK3CATNFPIK3CDPIK3CBPIK3CG

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 1 patent. 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

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 1/4885TNF 3693/4885PIK3CD 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.