SCHEMBL893109

SCHEMBL893109

Cc1cn2cc(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.64
PIK3R1 P27986 12/20 0.64
MTOR P42345 4/20 0.47
GRIA1 P42261 1/20 0.46
JAK2 O60674 1/20 0.46
PRKDC P78527 1/20 0.46
CYP2C9 P11712 1/20 0.45
ATR Q13535 1/20 0.45
MAP3K11 Q16584 1/20 0.43

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
SCHEMBL633129 0.78 PIK3CA (0.67) PIK3CAPIK3R1MTOR
SCHEMBL893488 0.78 PIK3CA (1.00) PIK3CAPIK3R1PRKDC
SCHEMBL632409 0.77 PIK3CA (0.74) PIK3CAPIK3R1CYP2C9
SCHEMBL632859 0.75 PIK3CA (0.68) PIK3CAPIK3R1MTOR
SCHEMBL15603030 0.74 PIK3CA (0.69) PIK3CAPIK3R1MTOR
SCHEMBL632322 0.74 PIK3CA (0.73) PIK3CAPIK3R1MTOR
SCHEMBL632723 0.72 PIK3CA (0.64) PIK3CAPIK3R1MTOR
SCHEMBL636112 0.72 PIK3CA (0.58) PIK3CAPIK3R1MTOR
SCHEMBL15603022 0.72 PIK3CA (0.67) PIK3CAPIK3R1MTOR
SCHEMBL13828581 0.72 PIK3CA (0.56) PIK3CAMTORGRIA1JAK2PRKDC

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-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

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 6/4885MTOR 1/4885

“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.