SCHEMBL3137987

SCHEMBL3137987

NC(=O)[C@@H]1CCCN1C(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.65
PIK3CD O00329 6/20 0.65
PIK3CG P48736 6/20 0.65
PIK3CB P42338 4/20 0.65
PI4KB Q9UBF8 2/20 0.65
PIK3C3 Q8NEB9 1/20 0.65
LRRK2 Q5S007 4/20 0.44
ABL1 P00519 3/20 0.44
PIK3R1 P27986 2/20 0.40
GAK O14976 1/20 0.40
PRKACG P22612 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL3138001 1.00 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3131409 0.93 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3131395 0.93 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3141598 0.91 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3141610 0.91 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL13415486 0.89 PIK3CA (0.66) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3146317 0.89 PIK3CA (0.68) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3146303 0.89 PIK3CA (0.68) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3146910 0.89 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL3146896 0.89 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB

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 2 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

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 2/4885PIK3CG 4/4885

“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.