SCHEMBL9607534

SCHEMBL9607534

O=Nc1ccc(-c2nc(Cl)cc(N3C4CCC3COC4)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.38
PIK3CA P42336 17/20 0.38
PIK3CG P48736 8/20 0.38
MAP3K12 Q12852 1/20 0.35
PIK3CD O00329 1/20 0.34
CYP2C8 P10632 1/20 0.34
PIK3CB P42338 1/20 0.34
ATR Q13535 1/20 0.33

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
SCHEMBL628504 0.81 MEN1 (0.49) MTORPIK3CAPIK3CG
SCHEMBL629287 0.76 MEN1 (0.51)
SCHEMBL17527868 0.76 MTOR (0.42) MTORPIK3CAMAP3K12ATR
SCHEMBL7876707 0.76 ATR (0.37) MTORPIK3CAPIK3CGATR
SCHEMBL628559 0.74 MTOR (0.51) MTORPIK3CAPIK3CGMAP3K12PIK3CD
SCHEMBL628089 0.73 PIK3CA (0.40) MTORPIK3CAPIK3CGMAP3K12PIK3CD
SCHEMBL30364648 0.72 MTOR (0.47) MTORPIK3CAPIK3CGMAP3K12PIK3CD
SCHEMBL20692825 0.72 MTOR (0.47) MTORPIK3CAPIK3CGMAP3K12PIK3CD
SCHEMBL628322 0.72 KMT2A (0.54) MTORPIK3CAPIK3CG
SCHEMBL628557 0.71 PIK3CA (0.39) MTORPIK3CAPIK3CGMAP3K12PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 US 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-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885PIK3CG 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.