SCHEMBL3140620

SCHEMBL3140620

CCn1nnc(CCNC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.63
PIK3CD O00329 3/20 0.63
PIK3CB P42338 3/20 0.63
PIK3CG P48736 3/20 0.63
PI4KB Q9UBF8 2/20 0.63
PIK3C3 Q8NEB9 1/20 0.63
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
PDGFRA P16234 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AKT1 P31749 1/20 0.38
MTOR P42345 1/20 0.38
ABL1 P00519 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3258470 0.91 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL13415557 0.90 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL1303576 0.85 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL3264949 0.85 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL1302528 0.83 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL1303285 0.83 BRAF (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL3146588 0.82 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL3265434 0.81 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL1302835 0.80 MAPK1 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL3137442 0.79 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB

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.