SCHEMBL1497541

SCHEMBL1497541

C=CC(=O)Nc1ccc(C(=O)N2CC=C(c3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.47
AKT1 P31749 11/20 0.47
MTOR P42345 10/20 0.47
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
MAP3K12 Q12852 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
TYK2 P29597 1/20 0.41
PIK3R1 P27986 2/20 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
SCHEMBL1497499 0.92 PIK3CA (0.49) PIK3CAAKT1MTORJAK2JAK1
SCHEMBL2395482 0.89 EGFR (0.45) PIK3CAAKT1MTORMAP3K12JAK2
SCHEMBL1497492 0.85 PIK3CA (0.50) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL1497711 0.84 PIK3CA (0.51) PIK3CAAKT1MTORCCNKCDK12
SCHEMBL1497545 0.84 PIK3CA (0.49) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL12313078 0.84 PIK3CA (0.55) PIK3CAAKT1MTORMAP3K12JAK2
SCHEMBL1497627 0.84 PIK3CA (0.41) PIK3CAAKT1MTORCCNKCDK12
SCHEMBL2444998 0.84 PIK3CA (0.47) PIK3CAAKT1MTORJAK2JAK1
SCHEMBL12849418 0.81 PIK3CA (0.42) PIK3CAAKT1MTORMAP3K12JAK2
SCHEMBL13174027 0.81 PIK3CA (0.42) PIK3CAAKT1MTORMAP3K12PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625708-A Pi3 kinase inhibitors and uses thereof AVILA THERAPEUTICS INC 2012-08-01 CN disclosed
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 1/4885AKT1 27/4885MTOR 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.