SCHEMBL3587782

SCHEMBL3587782

CCc1c(-c2ccc(CC=O)cc2)[nH]c2nccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 19/20 0.66
GSK3B P49841 19/20 0.66
CDK5 Q00535 11/20 0.66
MAPK8 P45983 3/20 0.66
AURKA O14965 2/20 0.66
MAP4K4 O95819 2/20 0.66
PAK4 O96013 2/20 0.66
ABL1 P00519 2/20 0.66
FYN P06241 2/20 0.66
RET P07949 2/20 0.66
KDR P35968 2/20 0.66
CDK8 P49336 2/20 0.66
ACVR1 Q04771 2/20 0.66
PTK2 Q05397 2/20 0.66
LRRK2 Q5S007 2/20 0.66
ALK Q9UM73 2/20 0.66
LTK P29376 1/20 0.66
CSNK1A1 P48729 1/20 0.66
CDK7 P50613 1/20 0.66
CDK9 P50750 1/20 0.66

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
SCHEMBL13502526 0.80 GSK3A (1.00) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL3580619 0.79 GSK3A (0.63) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL12205754 0.78 GSK3A (0.82) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL379047 0.77 GSK3A (1.00) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL27824303 0.70 GSK3A (0.55) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL13926127 0.69 GSK3A (0.80) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL27824304 0.69 GSK3A (0.72) GSK3AGSK3BCDK5MAPK8AURKA
Bromide SCHEMBL490395 0.69 GSK3A (0.97) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL27761166 0.69 GSK3A (0.62) GSK3AGSK3BCDK5MAPK8AURKA
SCHEMBL3100624 0.68 GSK3A (0.70) GSK3AGSK3BCDK5MAPK8AURKA

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
US-20140142110-A1 KINASE INHIBITOR SANOFI (FR) 2014-05-22 US disclosed
US-8658649-B2 Kinase inhibitor SANOFI (FR) 2014-02-25 US disclosed
EP-2094708-B1 A PYRROLOPYRAZIN AS SYK-KINASE INHIBITOR SANOFI SA (FR) 2013-10-23 EP disclosed
US-20100035884-A1 KINASE INHIBITOR SANOFI-AVENTIS (FR) 2010-02-11 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 (2 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-20100035884-A1 KINASE INHIBITOR MAP3K1, MAP3K20, MAP3K19 GSK3A 276/4885GSK3B 266/4885CDK5 145/4885
US-20140142110-A1 KINASE INHIBITOR MAP3K1, MAP3K20, MAP3K19 GSK3A 276/4885GSK3B 266/4885CDK5 145/4885

“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.