SCHEMBL631744

SCHEMBL631744

Oc1cccc(-c2cn3ccnc3c(N3CCOCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3R1 P27986 15/20 1.00
PIK3C2A O00443 1/20 0.54
PIK3C2B O00750 1/20 0.54
PRKDC P78527 1/20 0.54
PIK3C3 Q8NEB9 1/20 0.54
PIK3CD O00329 3/20 0.51
MTOR P42345 2/20 0.51
PIK3CG P48736 2/20 0.51

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
SCHEMBL893488 0.82 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL15602978 0.81 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDMTORPIK3CG
SCHEMBL633032 0.81 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL635443 0.81 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL632118 0.80 PIK3CA (0.72) PIK3CAPIK3R1PIK3CDMTOR
SCHEMBL632753 0.80 PIK3CA (0.72) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL633388 0.80 PIK3CA (1.00) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL634821 0.79 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CDMTORPIK3CG
SCHEMBL16881781 0.78 PIK3CA (0.74) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC
SCHEMBL14725959 0.78 PIK3CA (0.64) PIK3CAPIK3R1PIK3C2APIK3C2BPRKDC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419429-B1 IMIDAZOPYRAZINES AS INHIBITORS OF PROTEIN KINASES CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP claimed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
EP-2419429-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-22 EP disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 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-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA PIK3CA 2/4885PIK3R1 6/4885PIK3C2A 19/4885

“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.