SCHEMBL13632256

SCHEMBL13632256

Cc1cc2[nH]nc(C=O)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
AURKA O14965 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
TTK P33981 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL29955085 0.79 ITK (0.46) TTKCHEK1CDK1CDK4CCNA2
SCHEMBL15304355 0.79 ITK (0.46) TTKCHEK1CDK1CDK4CCNA2
SCHEMBL5953047 0.79 MAP2K4 (0.49) KDM4EMAPTCHEK1ALDH1A1HPGD
SCHEMBL3534726 0.73 KIF11 (0.47) AURKATTKKDM4EMEN1MAPT
SCHEMBL29953125 0.73 KIF11 (0.47) AURKATTKKDM4EMEN1MAPT
SCHEMBL3538242 0.73 TTK (0.54) TTKCHEK1CDK1CDK4CCNA2
SCHEMBL30301459 0.73 IDO1 (0.33) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL31133451 0.73 CHEK1 (0.32) CHEK1CYP1A2CDK1CDK4CCNA2
SCHEMBL31133391 0.73 CYP1A2 (0.47) CHEK1CYP1A2CDK4CCNA2CCND1
SCHEMBL8145174 0.72 ALDH1A1 (0.53) TTKKDM4EMEN1MAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 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 (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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 GRIA1 3667/4885GRIA2 4126/4885GRIA3 2170/4885

“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.