SCHEMBL754305

SCHEMBL754305

Cc1nc(N)nc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.60
MTOR P42345 11/20 0.60
PIK3CB P42338 1/20 0.60
CDK4 P11802 1/20 0.45
CDK2 P24941 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP7 Q93009 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
RAB9A P51151 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
SCHEMBL754345 0.86 PIK3CA (0.45) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL751843 0.83 PIK3CA (0.43) PIK3CAMTORPIK3CBALDH1A1SMN1; SMN2
SCHEMBL755349 0.79 PIK3CA (0.42) PIK3CAMTORPIK3CB
SCHEMBL757760 0.78 PIK3CA (0.43) PIK3CAMTORPIK3CBGAA
SCHEMBL753913 0.77 PIK3CA (0.60) PIK3CAMTORPIK3CBCDK4CDK2
SCHEMBL754934 0.76 PIK3CA (0.66) PIK3CAMTORPIK3CBALDH1A1SMN1; SMN2
SCHEMBL750996 0.73 PIK3CA (0.46) PIK3CAMTORCDK4CDK2KDM4E
SCHEMBL752349 0.73 PIK3CA (0.65) PIK3CAMTORPIK3CB
SCHEMBL755434 0.73 PIK3CA (0.64) PIK3CAMTORPIK3CB
SCHEMBL757605 0.72 PIK3CA (0.68) PIK3CAMTORPIK3CB

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 PIK3CA 1/4885MTOR 21/4885PIK3CB 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.