SCHEMBL3537965

SCHEMBL3537965

Oc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.76
PDPK1 O15530 4/20 0.71
FGFR1 P11362 2/20 0.71
FLT1 P17948 1/20 0.71
CDK4 P11802 8/20 0.67
CCNA2 P20248 8/20 0.67
CCND1 P24385 8/20 0.67
CDK2 P24941 8/20 0.67
CCND3 P30281 8/20 0.67
JAK2 O60674 5/20 0.66
JAK1 P23458 5/20 0.66
TYK2 P29597 5/20 0.66
JAK3 P52333 5/20 0.66
CHEK1 O14757 7/20 0.63
KDR P35968 3/20 0.63
CDK1 P06493 1/20 0.57

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
SCHEMBL5513046 0.90 CDK4 (0.67) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL3537487 0.89 ITK (0.80) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL5510140 0.87 CDK4 (0.83) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL3533024 0.84 PDPK1 (0.73) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL29714859 0.84 FGFR1 (1.00) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL311148 0.84 FGFR1 (1.00) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL3531870 0.83 PDPK1 (0.71) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL3534494 0.83 PDPK1 (0.71) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL4989411 0.83 PDPK1 (0.71) ITKPDPK1FGFR1FLT1CDK4
SCHEMBL3533017 0.83 PDPK1 (0.71) ITKPDPK1FGFR1FLT1CDK4

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 12 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-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 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
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 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-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 WO 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 (4 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 222/4885PDPK1 61/4885FGFR1 609/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK ITK 1055/4885PDPK1 1862/4885FGFR1 886/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885PDPK1 94/4885FGFR1 725/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 ITK 855/4885PDPK1 1896/4885FGFR1 2175/4885

“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.