SCHEMBL1497650

SCHEMBL1497650

C=CC(=O)Nc1ccc(C(=O)N2CC=C(c3cc4nc(-c5cnc(N)nc5)nc(C5=CCOCC5)c4s3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.42
MTOR P42345 6/20 0.42
KIT P10721 8/20 0.40
CDK7 P50613 5/20 0.35
CCNH P51946 5/20 0.35
MNAT1 P51948 5/20 0.35
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35

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
SCHEMBL1497639 0.91 KIT (0.37) PIK3CAMTORKITCDK7CCNH
SCHEMBL2394522 0.86 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL1497627 0.82 PIK3CA (0.41) PIK3CAMTORKITCCNKCDK12
SCHEMBL1497580 0.80 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL12832145 0.79 PIK3CA (0.41) PIK3CAMTORKIT
SCHEMBL1497552 0.78 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL12264695 0.77 KIT (0.39) PIK3CAMTORKIT
SCHEMBL1497541 0.73 PIK3CA (0.47) PIK3CAMTORCCNKCDK12
SCHEMBL1497775 0.71 PIK3CA (0.56) PIK3CAMTORCDK7
SCHEMBL1497499 0.66 PIK3CA (0.49) PIK3CAMTOR

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 6 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
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 37/4885KIT 1019/4885

“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.