SCHEMBL3537456

SCHEMBL3537456

Cn1c(-c2n[nH]c3cc(C#N)ccc23)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.53
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
PAX8 Q06710 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 1/20 0.39

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
SCHEMBL3537258 0.91 ITK (0.53) ITKNPC1RAB9ALMNATP53
SCHEMBL13549069 0.88 ITK (0.57) ITKGSK3BCHEK1CDK7TRPA1
SCHEMBL3540234 0.85 ITK (0.48) ITKGSK3BKMT2ACHEK1CDK7
SCHEMBL3536604 0.83 ITK (0.46) ITKCHEK1CDK7TRPA1SCN5A
SCHEMBL3540321 0.82 MAP2K4 (0.55) ITKNPC1RAB9ALMNATP53
SCHEMBL3539742 0.82 SMN1; SMN2 (0.44) NPC1RAB9ALMNATP53MAPT
SCHEMBL3537120 0.79 TRPA1 (0.48) ITKNPC1RAB9ALMNATP53
SCHEMBL3541944 0.78 KDM4E (0.46) NPC1RAB9ALMNATP53POLB
SCHEMBL3534853 0.78 FGFR1 (0.48) ITKCHEK1CDK7CCNT1CCNK
SCHEMBL3533928 0.76 ADORA1 (0.44) NPC1RAB9ALMNATP53POLB

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 1055/4885NPC1 1789/4885RAB9A 2461/4885

“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.