SCHEMBL633031

SCHEMBL633031

Cc1cn2c(Cl)c(-c3cccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CA P42336 8/20 0.47
PIK3R1 P27986 5/20 0.47
PDE10A Q9Y233 3/20 0.46
GBA1 P04062 1/20 0.45
MTOR P42345 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
AURKA O14965 2/20 0.43
AURKC Q9UQB9 1/20 0.43
ATR Q13535 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL632369 0.87 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2PIK3CAPIK3R1
SCHEMBL632767 0.87 PIK3CA (0.47) HTTPIK3CAPIK3R1PDE10AMTOR
SCHEMBL15603149 0.83 PIK3CA (0.52) ALDH1A1HTTSMN1; SMN2PIK3CAPIK3R1
SCHEMBL633359 0.82 PIK3CA (0.63) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL15603046 0.81 PIK3CA (0.62) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL633594 0.81 CYP1A2 (0.49) ALDH1A1PIK3CAPIK3R1LRRK2KDM4E
SCHEMBL15603101 0.77 MAPT (0.47) ALDH1A1PIK3CAPIK3R1MTORPIK3CD
SCHEMBL632859 0.77 PIK3CA (0.68) ALDH1A1HTTSMN1; SMN2PIK3CAPIK3R1
SCHEMBL633306 0.75 PIK3CA (0.67) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL13828895 0.71 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2PIK3CAPDE10A

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 7 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
EP-2419429-B1 IMIDAZOPYRAZINES AS INHIBITORS OF PROTEIN KINASES CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP 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 ALDH1A1 3679/4885HTT 3430/4885SMN1; SMN2 3221/4885

“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.