SCHEMBL1497686

SCHEMBL1497686

C=CC(=O)Nc1ccc(C(=O)N2CC=C(c3cc4nc(-c5cccc(O)c5)nc(N5CCOCC5)c4s3)CC2)cc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.41
MTOR P42345 4/20 0.41
PIK3CB P42338 5/20 0.38
PIK3CG P48736 5/20 0.38
PIK3CD O00329 4/20 0.38
PIK3C2B O00750 1/20 0.36
CCNE2 O96020 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KDR P35968 1/20 0.36
KIT P10721 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
EGFR P00533 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34

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
SCHEMBL1497539 0.90 PIK3CA (0.43) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL12312774 0.88 PIK3CA (0.39) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL2398195 0.81 MAPK3 (0.46) EGFR
SCHEMBL1301238 0.78 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1497552 0.73 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1497580 0.73 PIK3CA (0.60) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL12832122 0.72 MAPK3 (0.37) CDK2CCNKCDK12EGFR
SCHEMBL2394522 0.72 PIK3CA (0.55) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1497529 0.70 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL1497526 0.70 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CGPIK3CD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885MTOR 37/4885PIK3CB 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.