SCHEMBL755481

SCHEMBL755481

COc1ccn2c(-c3nc(C)nc(Cl)n3)c(Cl)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
ADORA3 P0DMS8 13/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
METTL3 Q86U44 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL755349 0.89 PIK3CA (0.42) AKT1AKT2PIK3CAMTOR
SCHEMBL755747 0.84 PARP1 (0.33) AKT1AKT2PIK3CAMTOR
SCHEMBL754345 0.77 PIK3CA (0.45) MAPK1RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL751843 0.72 PIK3CA (0.43) AKT1AKT2SMN1; SMN2PIK3CAMTOR
SCHEMBL754305 0.67 PIK3CA (0.60) RAB9ASMN1; SMN2PIK3CAMTOR
SCHEMBL22153369 0.67 PDE10A (0.46) AKT1AKT2ADORA3ADORA1RAB9A
SCHEMBL7974764 0.66 PI4KB (0.38) AKT1AKT2ADORA3PDE10A
SCHEMBL756821 0.66 PIK3CA (0.47) ADORA3ADORA1MAPK1RAB9ASMN1; SMN2
SCHEMBL23414969 0.65 METTL3 (0.45) ADORA3ADORA1METTL3
SCHEMBL7977849 0.64 PDE10A (0.39) AKT1AKT2ADORA3ADORA1RAB9A

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 AKT1 30/4885AKT2 38/4885ADORA3 3871/4885

“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.