SCHEMBL754042

SCHEMBL754042

CNC(=O)n1cc(Nc2nc3ccccn3c2-c2cc(N)nc(C)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.55
PIK3CA P42336 14/20 0.55
PIK3CB P42338 1/20 0.37
USP7 Q93009 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34

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
SCHEMBL756620 0.91 MTOR (0.54) MTORPIK3CAPIK3CBUSP7CCNE1
SCHEMBL16161611 0.91 MTOR (0.57) MTORPIK3CAPIK3CBUSP7CCNE1
SCHEMBL11028413 0.90 PIK3CA (0.56) MTORPIK3CAPIK3CBUSP7
SCHEMBL2788394 0.85 PIK3CA (0.58) MTORPIK3CAPIK3CB
SCHEMBL11026350 0.84 MTOR (0.58) MTORPIK3CAPIK3CBUSP7CCNE1
SCHEMBL11028397 0.81 PIK3CA (0.59) MTORPIK3CAPIK3CBUSP7CCNE1
SCHEMBL11027637 0.81 PIK3CA (0.58) MTORPIK3CAPIK3CBUSP7CCNE1
SCHEMBL750340 0.80 PIK3CA (0.58) MTORPIK3CAPIK3CBCCNE1CDK2
SCHEMBL751149 0.80 PIK3CA (0.57) MTORPIK3CAPIK3CBCCNE1CDK2
SCHEMBL752836 0.80 PIK3CA (0.57) MTORPIK3CAPIK3CB

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
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
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 MTOR 21/4885PIK3CA 1/4885PIK3CB 8/4885

“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.