SCHEMBL3542002

SCHEMBL3542002

c1cc2c(cc1CNc1ccc3[nH]ncc3c1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
ROCK2 O75116 6/20 0.48
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
TRPM5 Q9NZQ8 1/20 0.45
ROCK1 Q13464 5/20 0.44
CLK4 Q9HAZ1 4/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
PRKG1 Q13976 2/20 0.44
PRKACA P17612 2/20 0.44
RPS6KB1 P23443 2/20 0.44
PRKX P51817 2/20 0.44
PRKG2 Q13237 2/20 0.44
SGK2 Q9HBY8 2/20 0.44
CLK2 P49760 2/20 0.44
DYRK1A Q13627 2/20 0.44
MAPK1 P28482 2/20 0.44
AURKA O14965 1/20 0.44
DYRK3 O43781 1/20 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
SCHEMBL5405650 0.80 MAOB (0.66) ROCK2ROCK1CLK4GSK3AGSK3B
SCHEMBL2802570 0.77 ROCK2 (0.82) ROCK2ROCK1
SCHEMBL2802571 0.77 ROCK2 (0.82) ROCK2ROCK1
SCHEMBL13122214 0.74 INSR (0.54) KDRROCK2INSRIGF1RTRPM5
SCHEMBL13122085 0.74 CDC7 (0.56) KDRROCK2INSRIGF1RTRPM5
SCHEMBL13122080 0.74 ROCK2 (0.67) ROCK2INSRIGF1RTRPM5ROCK1
SCHEMBL13122150 0.74 ROCK2 (0.57) ROCK2INSRIGF1RTRPM5ROCK1
SCHEMBL13122152 0.74 TRPM5 (0.60) KDRROCK2INSRIGF1RTRPM5
SCHEMBL5334521 0.72 SYK (0.46) KDRROCK2ROCK1DYRK1ASYK
SCHEMBL17741867 0.72 PDE2A (0.48) GSK3BRPS6KB1DYRK1AAURKAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK KDR 2852/4885ROCK2 200/4885INSR 1878/4885

“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.