SCHEMBL631638

SCHEMBL631638

Cc1nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)cn2c1C(=O)NC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.58
PIK3CD O00329 13/20 0.58
PIK3R1 P27986 11/20 0.58
HDAC6 Q9UBN7 1/20 0.50
KCNH2 Q12809 1/20 0.48
PIK3CB P42338 6/20 0.46
PIK3CG P48736 6/20 0.46
TRPV1 Q8NER1 1/20 0.42
ATR Q13535 1/20 0.42

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
SCHEMBL15602970 0.91 PIK3CA (0.57) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL15603086 0.90 PIK3CA (0.60) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL632324 0.88 PIK3CA (0.53) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL5555180 0.85 PIK3CA (0.63) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL5555182 0.84 PIK3CA (0.70) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL893462 0.83 PIK3CA (0.54) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL10202169 0.81 PIK3CA (0.60) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL20458892 0.80 PIK3CA (0.61) PIK3CAPIK3CDPIK3R1HDAC6KCNH2
SCHEMBL13153825 0.79 FLT3 (0.40) PIK3CAPIK3CD
SCHEMBL633355 0.78 PIK3CA (0.60) PIK3CAPIK3CDPIK3R1HDAC6KCNH2

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 2/4885PIK3CD 11/4885PIK3R1 6/4885

“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.