SCHEMBL3136768

SCHEMBL3136768

Nc1ncc(-c2ccc3nc(NC(=O)NCCC(=O)Nc4ccccn4)cn3c2)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.63
PIK3CD O00329 2/20 0.63
PIK3CB P42338 2/20 0.63
PIK3CG P48736 2/20 0.63
PIK3C3 Q8NEB9 1/20 0.63
PI4KB Q9UBF8 1/20 0.63
ABL1 P00519 3/20 0.40
LRRK2 Q5S007 2/20 0.39
PDGFRA P16234 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
WNT3A P56704 1/20 0.38

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
SCHEMBL3146552 0.88 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL3136807 0.84 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL3147001 0.84 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL3141111 0.82 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13415481 0.82 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL14435748 0.82 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL3146526 0.82 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL14436379 0.81 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL14436958 0.81 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL3137442 0.81 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGPIK3C3

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.