SCHEMBL3536604

SCHEMBL3536604

Cn1c(-c2n[nH]c3cc(C#N)ccc23)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.46
TRPA1 O75762 3/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MAP2K4 P45985 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPK6 Q16659 2/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.37
CHEK1 O14757 2/20 0.36
CDK7 P50613 2/20 0.36
LRRK2 Q5S007 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL3542531 0.92 ITK (0.43) ITKTRPA1SCN5ASCN9AMAP2K4
SCHEMBL3538746 0.85 TRPA1 (0.46) ITKTRPA1MAP2K4MAPK1MAPK6
SCHEMBL3590351 0.84 TRPA1 (0.46) TRPA1SCN5AMAP2K4MAPK1MAPK6
SCHEMBL3537456 0.83 ITK (0.53) ITKTRPA1SCN5ASCN9ACHEK1
SCHEMBL3537120 0.81 TRPA1 (0.48) ITKTRPA1MAP2K4MAPK1MAPK6
SCHEMBL13549069 0.81 ITK (0.57) ITKTRPA1SCN5ASCN9ACHEK1
SCHEMBL3590449 0.79 CACNA1D (0.41) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL3540234 0.78 ITK (0.48) ITKTRPA1SCN5ASCN9AMAP2K4
SCHEMBL3546038 0.76 PTGES (0.47)
SCHEMBL29497643 0.75 MAT2A (0.48) TRPA1GRM2AGPAT2

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-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-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 ITK 1055/4885TRPA1 4289/4885SCN5A 985/4885

“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.