SCHEMBL632383

SCHEMBL632383

COc1cccc(-c2nc(N3CCOCC3)c3nc(C)cn3c2I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
PIK3CA P42336 6/20 0.46
PIK3R1 P27986 1/20 0.46
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
LRRK2 Q5S007 1/20 0.46
SLC2A1 P11166 1/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL633594 0.88 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL5561579 0.82 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL632369 0.81 ALDH1A1 (0.47) ALDH1A1PIK3CAPIK3R1LRRK2SLC2A1
SCHEMBL632409 0.78 PIK3CA (0.74) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL14725956 0.76 PIK3CA (0.50) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL20458862 0.76 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL633359 0.73 PIK3CA (0.63) PIK3CAPIK3R1
SCHEMBL16881772 0.73 PIK3CA (0.55) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL633371 0.73 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL12819648 0.69 PIK3CA (0.48) CYP1A2CYP3A4CYP2C19TSHRALDH1A1

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 CYP1A2 1634/4885CYP3A4 1280/4885CYP2C19 1442/4885

“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.