SCHEMBL3538746

SCHEMBL3538746

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
MAP2K4 P45985 10/20 0.43
ITK Q08881 3/20 0.43
HTR2A P28223 2/20 0.42
MAPK1 P28482 2/20 0.41
MAPK6 Q16659 2/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
MAP2K7 O14733 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
AGPAT2 O15120 1/20 0.37

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
SCHEMBL3590351 0.88 TRPA1 (0.46) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL3536604 0.85 ITK (0.46) TRPA1MAP2K4ITKMAPK1MAPK6
SCHEMBL3537120 0.84 TRPA1 (0.48) TRPA1MAP2K4ITKMAPK1MAPK6
SCHEMBL3536898 0.83 BRAF (0.41) MAP2K4MAPK1MAPK6AGPAT2
SCHEMBL3590449 0.83 CACNA1D (0.41) TRPA1MAP2K4MAPK1MAPK6MAPKAPK5
SCHEMBL3540321 0.82 MAP2K4 (0.55) MAP2K4ITKHTR2AMAPK1MAPK6
SCHEMBL3534652 0.80 BRAF (0.39) MAP2K4MAPK1MAPK6NTRK1NTRK3
SCHEMBL3546038 0.80 PTGES (0.47) NTRK1
SCHEMBL3542531 0.79 ITK (0.43) TRPA1MAP2K4ITKMAPK1MAPK6
SCHEMBL3542562 0.78 BRAF (0.39) TRPA1MAP2K4MAPK1MAPK6

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 TRPA1 4289/4885MAP2K4 1134/4885ITK 1055/4885

“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.