SCHEMBL1497639

SCHEMBL1497639

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
CDK7 P50613 12/20 0.35
CCNH P51946 12/20 0.35
MNAT1 P51948 12/20 0.35
CCNA2 P20248 10/20 0.35
CDK2 P24941 10/20 0.35
CCNK O75909 10/20 0.35
CDK12 Q9NYV4 10/20 0.35
NAMPT P43490 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
BLK P51451 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 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
SCHEMBL1497650 0.91 PIK3CA (0.42) KITPIK3CAMTORCDK7CCNH
SCHEMBL12832145 0.89 PIK3CA (0.41) KITPIK3CAMTORNAMPT
SCHEMBL1497627 0.87 PIK3CA (0.41) KITPIK3CAMTORCCNKCDK12
SCHEMBL2394522 0.84 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL1497541 0.78 PIK3CA (0.47) PIK3CAMTORCCNKCDK12
SCHEMBL1497580 0.77 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL2396975 0.76 KIT (0.37) KITPIK3CAMTORNAMPT
SCHEMBL1497552 0.75 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL1497499 0.70 PIK3CA (0.49) PIK3CAMTORBTK
SCHEMBL1497775 0.70 PIK3CA (0.56) PIK3CAMTORCDK7

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 KIT 1019/4885PIK3CA 1/4885MTOR 37/4885

“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.