SCHEMBL3534494

SCHEMBL3534494

Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.71
FGFR1 P11362 2/20 0.71
FLT1 P17948 2/20 0.71
CHEK1 O14757 3/20 0.58
ITK Q08881 2/20 0.56
FLT3 P36888 2/20 0.55
CLK2 P49760 2/20 0.54
DYRK1A Q13627 2/20 0.54
WNT1 P04628 1/20 0.54
TGFBR1 P36897 1/20 0.54
CLK3 P49761 1/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 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
SCHEMBL3533781 0.89 FGFR1 (0.71) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL5951325 0.86 ITK (0.71) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL3533024 0.84 PDPK1 (0.73) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL29714859 0.84 FGFR1 (1.00) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL311148 0.84 FGFR1 (1.00) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL3533017 0.83 PDPK1 (0.71) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL4989411 0.83 PDPK1 (0.71) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL3537965 0.83 ITK (0.76) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL3531870 0.83 PDPK1 (0.71) PDPK1FGFR1FLT1CHEK1ITK
SCHEMBL3537735 0.83 PDPK1 (1.00) PDPK1FGFR1FLT1CHEK1ITK

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 PDPK1 1862/4885FGFR1 886/4885FLT1 2793/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 PDPK1 1896/4885FGFR1 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.