SCHEMBL1497627

SCHEMBL1497627

C=CC(=O)Nc1ccc(C(=O)N2CC=C(c3cc4nc(-c5cnc(N)nc5)cc(N5CCOCC5)c4s3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.41
MTOR P42345 4/20 0.41
KIT P10721 5/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
TYK2 P29597 1/20 0.38
PIK3R1 P27986 4/20 0.37
BTK Q06187 2/20 0.37
AKT1 P31749 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL2394522 0.88 PIK3CA (0.55) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1497639 0.87 KIT (0.37) PIK3CAMTORKITCCNKCDK12
SCHEMBL1497541 0.84 PIK3CA (0.47) PIK3CAMTORCCNKCDK12JAK2
SCHEMBL1497650 0.82 PIK3CA (0.42) PIK3CAMTORKITCCNKCDK12
SCHEMBL1497580 0.81 PIK3CA (0.60) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1497552 0.80 PIK3CA (0.54) PIK3CAMTORAKT1PIK3CDPIK3CB
SCHEMBL1497343 0.79 PIK3CA (0.42) PIK3CAMTORHDAC6JAK2JAK1
SCHEMBL1497499 0.76 PIK3CA (0.49) PIK3CAMTORJAK2JAK1JAK3
SCHEMBL1497340 0.76 HDAC6 (0.43) PIK3CAMTORHDAC6JAK2JAK1
SCHEMBL1497736 0.75 KIT (0.40) PIK3CAMTORKITHDAC6PIK3R1

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.