SCHEMBL753913

SCHEMBL753913

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.60
MTOR P42345 6/20 0.60
CDK2 P24941 4/20 0.44
CDK4 P11802 1/20 0.44
KDM4E B2RXH2 4/20 0.41
PIK3CB P42338 1/20 0.40
USP7 Q93009 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL750996 0.86 PIK3CA (0.46) PIK3CAMTORCDK2CDK4KDM4E
SCHEMBL755344 0.79 PIK3CA (0.40) PIK3CAMTORGAARAB9AALDH1A1
SCHEMBL753575 0.77 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL754305 0.77 PIK3CA (0.60) PIK3CAMTORCDK2CDK4KDM4E
SCHEMBL2787861 0.75 PIK3CA (0.68) PIK3CAMTORCDK2CDK4KDM4E
SCHEMBL751580 0.74 MTOR (0.71) PIK3CAMTORCDK2CDK4PIK3CB
SCHEMBL765755 0.74 PIK3CA (0.66) PIK3CAMTORCDK2CDK4PIK3CB
SCHEMBL754345 0.73 PIK3CA (0.45) PIK3CAMTORCDK2CDK4KDM4E
SCHEMBL751313 0.73 PIK3CA (0.67) PIK3CAMTORCDK2CDK4PIK3CB
SCHEMBL3769721 0.72 CDK2 (0.71) CDK2CDK4KDM4ERAB9AALDH1A1

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 21/4885CDK2 189/4885

“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.