SCHEMBL2397219

SCHEMBL2397219

C=CC(=O)NC1CCCC(C(=O)N2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.69
PIK3CA P42336 17/20 0.69
PIK3CB P42338 16/20 0.69
PIK3CG P48736 16/20 0.69
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
PIK3C2A O00443 1/20 0.60
PLK4 O00444 1/20 0.60
PIK3R2 O00459 1/20 0.60
PIK3C2B O00750 1/20 0.60
GAK O14976 1/20 0.60
EPHB6 O15197 1/20 0.60
DAPK3 O43293 1/20 0.60
STK16 O75716 1/20 0.60
PIK3C2G O75747 1/20 0.60
NTRK1 P04629 1/20 0.60
NQO2 P16083 1/20 0.60
CSNK2A2 P19784 1/20 0.60
JAK1 P23458 1/20 0.60
PIK3R1 P27986 1/20 0.60

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
SCHEMBL12264616 1.00 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL2397222 1.00 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL2395168 0.93 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL2396760 0.93 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL2395163 0.93 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL1497642 0.88 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL2399479 0.88 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL12264614 0.88 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL1497644 0.88 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL1497546 0.87 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGABCC4

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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CD 5/4885PIK3CA 1/4885PIK3CB 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.