SCHEMBL2396975

SCHEMBL2396975

CC(C)=CC(=O)CCCC(=O)N1CC=C(c2cc3nc(-c4cnc(N)nc4)cc(C4=CCOCC4)c3s2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.37
PIK3CA P42336 11/20 0.33
MTOR P42345 3/20 0.33
PIK3R1 P27986 4/20 0.32
PIK3CD O00329 5/20 0.32
PIK3CB P42338 5/20 0.32
PIK3CG P48736 5/20 0.32
NAMPT P43490 1/20 0.31
BRD4 O60885 1/20 0.31
TAF1 P21675 1/20 0.31

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
SCHEMBL12264695 0.90 KIT (0.39) KITPIK3CAMTORPIK3CDPIK3CB
SCHEMBL1497736 0.87 KIT (0.40) KITPIK3CAMTORPIK3R1PIK3CD
SCHEMBL1497467 0.83 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL12832145 0.80 PIK3CA (0.41) KITPIK3CAMTORPIK3R1PIK3CD
SCHEMBL1497570 0.78 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1497517 0.77 PIK3CA (0.44) PIK3CAMTORPIK3R1
SCHEMBL1497639 0.76 KIT (0.37) KITPIK3CAMTORNAMPT
SCHEMBL1497712 0.70 PIK3CA (0.41) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1497654 0.67 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL1497558 0.66 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.