SCHEMBL756463

SCHEMBL756463

CSc1cc(-n2nc(C)cc2Nc2cccc3[nH]ncc23)nc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.43
PIK3CD O00329 5/20 0.43
PIK3CB P42338 5/20 0.43
PIK3CG P48736 5/20 0.43
MTOR P42345 4/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
EPHB4 P54760 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36

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
SCHEMBL755874 0.86 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL752861 0.86 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL753370 0.83 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL11892542 0.72 TSHR (0.37)
SCHEMBL755689 0.72 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL169243 0.72 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL168342 0.71 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL754800 0.69 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL761257 0.68 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL11030618 0.65 MAPKAPK2 (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
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP 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 1/4885PIK3CD 3/4885PIK3CB 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.