SCHEMBL755349

SCHEMBL755349

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.42
MTOR P42345 12/20 0.42
PIK3CB P42338 4/20 0.40
NPC1 O15118 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CG P48736 3/20 0.37

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
SCHEMBL755481 0.89 AKT1 (0.36) PIK3CAMTORAKT1AKT2
SCHEMBL751843 0.84 PIK3CA (0.43) PIK3CAMTORPIK3CBHSP90AA1HSP90AB1
SCHEMBL754305 0.79 PIK3CA (0.60) PIK3CAMTORPIK3CB
SCHEMBL755541 0.76 PIK3CA (0.48) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL7892121 0.74 PIK3CA (0.47) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL757760 0.72 PIK3CA (0.43) PIK3CAMTORPIK3CBPIK3CD
SCHEMBL115513 0.68 PIK3CA (0.67) PIK3CAMTORPIK3CBNPC1PIK3CD
SCHEMBL22153369 0.66 PDE10A (0.46) NPC1AKT1AKT2
SCHEMBL753251 0.66 PIK3CA (0.50) PIK3CAMTORPIK3CB
SCHEMBL754934 0.65 PIK3CA (0.66) PIK3CAMTORPIK3CBPIK3CDPIK3CG

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.