SCHEMBL3532060

SCHEMBL3532060

c1ccc2[nH]c(-c3ccc4c(-c5nc6ccccc6[nH]5)n[nH]c4c3)nc2c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.79
CDK4 P11802 12/20 0.75
CCNA2 P20248 12/20 0.75
CCND1 P24385 12/20 0.75
CDK2 P24941 12/20 0.75
CCND3 P30281 12/20 0.75
JAK2 O60674 7/20 0.75
JAK1 P23458 7/20 0.75
TYK2 P29597 7/20 0.75
JAK3 P52333 7/20 0.75
FGFR1 P11362 2/20 0.73
FLT1 P17948 1/20 0.73
KDR P35968 5/20 0.67
PDPK1 O15530 1/20 0.61

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
SCHEMBL3521153 0.92 CHEK1 (0.83) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3533024 0.89 PDPK1 (0.73) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5251709 0.88 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5246946 0.86 CDK4 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL311148 0.85 FGFR1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL29714859 0.85 FGFR1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3537487 0.84 ITK (0.80) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3537031 0.84 FGFR1 (0.71) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3543632 0.84 FGFR1 (0.71) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3534644 0.84 FGFR1 (0.71) CHEK1CDK4CCNA2CCND1CDK2

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 6 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-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 CHEK1 798/4885CDK4 646/4885CCNA2 3156/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CHEK1 2932/4885CDK4 1387/4885CCNA2 4010/4885

“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.