SCHEMBL3533869

SCHEMBL3533869

CNc1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.67
FGFR1 P11362 10/20 0.66
FLT1 P17948 9/20 0.66
CHEK1 O14757 5/20 0.66
PDPK1 O15530 4/20 0.66
CDK2 P24941 3/20 0.66
ABL1 P00519 2/20 0.66
CDK1 P06493 2/20 0.66
JAK2 O60674 2/20 0.66
TYK2 P29597 2/20 0.66
JAK3 P52333 2/20 0.66
PLK4 O00444 1/20 0.66
AURKA O14965 1/20 0.66
CHUK O15111 1/20 0.66
ROCK2 O75116 1/20 0.66
MAP4K4 O95819 1/20 0.66
PAK4 O96013 1/20 0.66
CHEK2 O96017 1/20 0.66
NTRK1 P04629 1/20 0.66
PRKCG P05129 1/20 0.66

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
SCHEMBL311148 0.80 FGFR1 (1.00) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL29714859 0.80 FGFR1 (1.00) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL4918041 0.80 PDPK1 (0.76) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL5951325 0.80 ITK (0.71) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL3541234 0.80 ITK (0.71) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL4912661 0.80 FGFR1 (0.70) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL3538044 0.80 ITK (0.67) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL4911894 0.77 ITK (0.63) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL3533865 0.77 ITK (0.67) ITKFGFR1FLT1CHEK1PDPK1
SCHEMBL5951267 0.76 FGFR1 (0.65) ITKFGFR1FLT1CHEK1PDPK1

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 ITK 1055/4885FGFR1 886/4885FLT1 2793/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 ITK 855/4885FGFR1 2175/4885FLT1 3562/4885

“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.