SCHEMBL755747

SCHEMBL755747

Cc1nc(Cl)nc(-c2c(Cl)nc3cc(Cl)ccn23)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
COMT P21964 1/20 0.30
USP7 Q93009 1/20 0.30

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
SCHEMBL751843 0.87 PIK3CA (0.43) AKT1AKT2PIK3CAPIK3CBMTOR
SCHEMBL755481 0.84 AKT1 (0.36) AKT1AKT2PIK3CAMTOR
SCHEMBL754345 0.81 PIK3CA (0.45) PIK3CAPIK3CBMTOR
SCHEMBL755349 0.72 PIK3CA (0.42) AKT1AKT2PIK3CAPIK3CBMTOR
SCHEMBL754305 0.70 PIK3CA (0.60) PIK3CAPIK3CBMTORUSP7
SCHEMBL14685300 0.66 PARP1 (0.40) PARP1AKT1AKT2COMT
SCHEMBL753251 0.65 PIK3CA (0.50) PIK3CAPIK3CBMTOR
SCHEMBL15207705 0.64 PARP1 (0.38) PARP1AKT1AKT2COMT
SCHEMBL757760 0.63 PIK3CA (0.43) PIK3CAPIK3CBMTOR
SCHEMBL14685287 0.63 MCHR1 (0.43)

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 disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PARP1 1198/4885AKT1 30/4885AKT2 38/4885

“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.