Sugi Predict

Sugi Predict / Compounds / SCHEMBL3540234

SCHEMBL3540234

SCHEMBL3540234

Cn1c(-c2n[nH]c3cc(C#N)ccc23)nc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.48
▸ KMT2A Q03164 1/20 0.39
▸ CHEK1 O14757 3/20 0.38
▸ CDK7 P50613 2/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ TRPA1 O75762 2/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PDE12 Q6L8Q7 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ MAP2K4 P45985 2/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35

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
SCHEMBL13549069 0.90 ITK (0.57) ITKCHEK1CDK7CCNT1CCNK
SCHEMBL3537456 0.85 ITK (0.53) ITKKMT2ACHEK1CDK7CCNT1
SCHEMBL3534853 0.80 FGFR1 (0.48) ITKCHEK1CDK7CCNT1CCNK
SCHEMBL3539742 0.79 SMN1; SMN2 (0.44) KMT2ACHEK1CDK2MAP2K4GSK3B
SCHEMBL3536604 0.78 ITK (0.46) ITKCHEK1CDK7CCNT1CCNK
SCHEMBL3537258 0.76 ITK (0.53) ITKKMT2ALRRK2GSK3B
SCHEMBL3538529 0.74 FGFR1 (0.51) CHEK1CDK2
SCHEMBL3590351 0.72 TRPA1 (0.46) TRPA1SCN5AMAP2K4
SCHEMBL6279155 0.70 ITK (0.43) ITKCHEK1CDK7CYP11B2LRRK2
SCHEMBL17896689 0.70 CYP11B2 (0.44) KMT2ACYP11B2

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 1055/4885KMT2A 1429/4885CHEK1 798/4885

“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.