SCHEMBL3533781

SCHEMBL3533781

Nc1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.71
FLT1 P17948 1/20 0.71
CHEK1 O14757 9/20 0.67
CDK4 P11802 9/20 0.62
CCNA2 P20248 9/20 0.62
CCND1 P24385 9/20 0.62
CDK2 P24941 9/20 0.62
CCND3 P30281 9/20 0.62
JAK2 O60674 4/20 0.62
JAK1 P23458 4/20 0.62
TYK2 P29597 4/20 0.62
JAK3 P52333 4/20 0.62
PDPK1 O15530 1/20 0.60
KDR P35968 3/20 0.57
ITK Q08881 1/20 0.56
CDK1 P06493 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL5951325 0.89 ITK (0.71) FGFR1FLT1CHEK1CDK2JAK2
SCHEMBL3534494 0.89 PDPK1 (0.71) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL3532060 0.84 CHEK1 (0.79) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL311148 0.84 FGFR1 (1.00) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL29714859 0.84 FGFR1 (1.00) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL3543632 0.83 FGFR1 (0.71) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL3534644 0.83 FGFR1 (0.71) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL3537487 0.83 ITK (0.80) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL3537031 0.83 FGFR1 (0.71) FGFR1FLT1CHEK1CDK4CCNA2
SCHEMBL3521153 0.82 CHEK1 (0.83) FGFR1FLT1CHEK1CDK4CCNA2

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 FGFR1 886/4885FLT1 2793/4885CHEK1 798/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 FGFR1 2175/4885FLT1 3562/4885CHEK1 2932/4885

“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.