SCHEMBL750596

SCHEMBL750596

Cc1nc(N)cc(-c2c(Nc3cccc(NC(=O)Nc4ccc(F)cc4)c3)nc3ccccn23)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.56
MTOR P42345 10/20 0.56
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
KDR P35968 2/20 0.41
FGFR3 P22607 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CDK8 P49336 1/20 0.39
AURKB Q96GD4 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
SCHEMBL11027619 0.94 PIK3CA (0.60) PIK3CAMTORCCNE1CDK2KDR
SCHEMBL2790005 0.90 PIK3CA (0.62) PIK3CAMTORCCNE1CDK2KDR
SCHEMBL751149 0.89 PIK3CA (0.57) PIK3CAMTORCCNE1CDK2KDR
SCHEMBL751735 0.87 PIK3CA (0.54) PIK3CAMTORCCNE1CDK2KDR
SCHEMBL756108 0.87 PIK3CA (0.59) PIK3CAMTORCCNE1CDK2SMN1; SMN2
SCHEMBL752472 0.87 PIK3CA (0.54) PIK3CAMTORCCNE1CDK2KDR
SCHEMBL2771022 0.86 PIK3CA (0.62) PIK3CAMTORCCNE1CDK2SMN1; SMN2
SCHEMBL11028397 0.86 PIK3CA (0.59) PIK3CAMTORCCNE1CDK2
SCHEMBL756457 0.85 PIK3CA (0.56) PIK3CAMTORSMN1; SMN2KDM4E
SCHEMBL751742 0.85 PIK3CA (0.52) PIK3CAMTORCCNE1CDK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PIK3CA 1/4885MTOR 21/4885CCNE1 1797/4885

“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.