SCHEMBL634821

SCHEMBL634821

Oc1cccc(-c2cn3cc(CN4CCOCC4)nc3c(N3CCOCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 20/20 1.00
PIK3CA P42336 20/20 1.00
PIK3CD O00329 1/20 0.52
PIK3CB P42338 1/20 0.52
MTOR P42345 1/20 0.52
PIK3CG P48736 1/20 0.52

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
SCHEMBL632141 0.93 PIK3CA (1.00) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL15603053 0.91 PIK3R1 (0.83) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL15603041 0.91 PIK3R1 (0.85) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL632355 0.90 PIK3CA (1.00) PIK3R1PIK3CA
SCHEMBL633032 0.90 PIK3CA (1.00) PIK3R1PIK3CAMTOR
SCHEMBL633173 0.89 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL20458896 0.89 PIK3R1 (0.80) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL632562 0.87 PIK3CA (1.00) PIK3R1PIK3CA
SCHEMBL633212 0.86 PIK3R1 (0.79) PIK3R1PIK3CA
SCHEMBL893488 0.83 PIK3CA (1.00) PIK3R1PIK3CA

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 PIK3R1 6/4885PIK3CA 2/4885PIK3CD 11/4885

“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.