SCHEMBL3533601

SCHEMBL3533601

CCOCc1cccc2[nH]nc(C=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.39
ROCK1 Q13464 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ADRA1A P35348 1/20 0.32
MAPK1 P28482 3/20 0.31
MAP2K4 P45985 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPK6 Q16659 1/20 0.31
RGS12 O14924 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 2/20 0.31
PKM P14618 1/20 0.31
CDK2 P24941 2/20 0.31
MEN1 O00255 1/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31

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
SCHEMBL3535635 0.78 PIM1 (0.34) KDM4ECNR1CNR2ADRA1AMAPK1
SCHEMBL3536573 0.77 GRK6 (0.42) CDK5ROCK1CLK4CDK8KDM4E
SCHEMBL29957225 0.72 MAPK1 (0.47) CDK5ROCK1CLK4KDM4EMAPK1
SCHEMBL12016953 0.72 MAPK1 (0.47) CDK5ROCK1CLK4KDM4EMAPK1
SCHEMBL3535995 0.71 CYP2A6 (0.39) CDK5ROCK1CLK4KDM4EMAPK1
SCHEMBL29955303 0.71 CYP2A6 (0.39) CDK5ROCK1CLK4KDM4EMAPK1
SCHEMBL3532092 0.69 NTRK1 (0.37) KDM4ECNR1CNR2MAP2K4AURKA
SCHEMBL3536794 0.69 GSK3B (0.37) CDK2CHEK1LCKFGFR1TTK
SCHEMBL5953135 0.69 PARP1 (0.38) CDK5ROCK1CLK4KDM4EMAPK1
SCHEMBL18787274 0.69 CYP2A6 (0.49) CDK5ROCK1CLK4KDM4EMAPK1

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 8 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-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-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-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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 (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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CDK5 507/4885ROCK1 191/4885CLK4 972/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CDK5 2524/4885ROCK1 2129/4885CLK4 1422/4885

“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.