SCHEMBL2398854

SCHEMBL2398854

CC(C)=CC(=O)CCC(=O)N1CCC(C#Cc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.47
AKT1 P31749 13/20 0.47
MTOR P42345 10/20 0.47
MAP3K12 Q12852 1/20 0.42
PIK3R1 P27986 1/20 0.39

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
SCHEMBL2397730 0.88 PIK3CA (0.50) PIK3CAAKT1MTORMAP3K12
SCHEMBL12313600 0.85 PIK3CA (0.51) PIK3CAAKT1MTORMAP3K12
SCHEMBL2397509 0.84 PIK3CA (0.47) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL12489220 0.81 PIK3CA (0.48) PIK3CAAKT1MTORMAP3K12
SCHEMBL2397720 0.81 PIK3CA (0.47) PIK3CAAKT1MTORMAP3K12
SCHEMBL1497717 0.80 PIK3CA (0.50) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL1497377 0.80 PIK3CA (0.49) PIK3CAAKT1MTORMAP3K12
SCHEMBL1497596 0.80 PIK3CA (0.45) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL2399183 0.80 PIK3CA (0.45) PIK3CAAKT1MTORMAP3K12PIK3R1
SCHEMBL2393329 0.80 PIK3CA (0.46) PIK3CAAKT1MTORMAP3K12

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 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.