SCHEMBL632409

SCHEMBL632409

COc1cccc(-c2cn3cc(C)nc3c(N3CCOCC3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.74
PIK3R1 P27986 11/20 0.74
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
STK4 Q13043 1/20 0.50
STK3 Q13188 1/20 0.50
LRRK2 Q5S007 1/20 0.50
GAK O14976 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL632723 0.85 PIK3CA (0.64) PIK3CAPIK3R1
SCHEMBL893488 0.85 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL16881785 0.84 CYP1A2 (0.53) PIK3CAPIK3R1CYP1A2CYP3A4TSHR
SCHEMBL14725956 0.82 PIK3CA (0.50) PIK3CAPIK3R1CYP1A2CYP3A4TSHR
SCHEMBL20458862 0.82 CYP1A2 (0.51) PIK3CAPIK3R1CYP1A2CYP3A4TSHR
SCHEMBL16881772 0.81 PIK3CA (0.55) PIK3CAPIK3R1CYP1A2CYP3A4TSHR
SCHEMBL5561579 0.81 CYP1A2 (0.49) PIK3CAPIK3R1CYP1A2CYP3A4TSHR
SCHEMBL14716698 0.80 CYP1A2 (0.50) PIK3CAPIK3R1CYP1A2CYP3A4TSHR
SCHEMBL632859 0.79 PIK3CA (0.68) PIK3CAPIK3R1ALDH1A1
SCHEMBL633371 0.79 CYP1A2 (0.48) PIK3CAPIK3R1CYP1A2CYP3A4TSHR

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 6/4885CYP1A2 1634/4885

“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.