SCHEMBL749526

SCHEMBL749526

Cc1nc(N)cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cccnc4C)nn23)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.55
PIK3CA P42336 17/20 0.55
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
CSNK1D P48730 1/20 0.35
CASP6 P55212 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
SCHEMBL11028595 0.84 MTOR (0.76) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL751300 0.83 MTOR (0.72) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL748975 0.83 MTOR (0.49) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL750591 0.81 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL751893 0.80 MTOR (0.47) MTORPIK3CA
SCHEMBL751696 0.77 MTOR (0.50) MTORPIK3CACSNK1D
SCHEMBL2787352 0.77 MTOR (0.52) MTORPIK3CA
SCHEMBL751580 0.75 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL11028509 0.72 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL749267 0.72 PIK3CA (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 1/4885PIK3CD 3/4885

“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.