SCHEMBL3538807

SCHEMBL3538807

Fc1ccc2[nH]nc(-c3nc4ccncc4[nH]3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
CLK2 P49760 5/20 0.54
CLK3 P49761 5/20 0.54
DYRK1A Q13627 5/20 0.54
FGFR1 P11362 2/20 0.53
MAP3K8 P41279 1/20 0.52
PDPK1 O15530 2/20 0.51
CHUK O15111 1/20 0.50
CDK4 P11802 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
ITK Q08881 1/20 0.49
FLT1 P17948 1/20 0.49
FLT3 P36888 1/20 0.48
ACHE P22303 1/20 0.48
CHEK1 O14757 1/20 0.47
RPS6KA5 O75582 1/20 0.47

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
SCHEMBL3598153 0.91 ALDH1A1 (0.57) ALDH1A1PKMCLK2CLK3DYRK1A
SCHEMBL3539728 0.84 KDM4E (0.58) ALDH1A1PKMCLK2CLK3DYRK1A
SCHEMBL3533017 0.84 PDPK1 (0.71) CLK2CLK3DYRK1AFGFR1PDPK1
SCHEMBL17555489 0.83 CLK2 (0.57) ALDH1A1PKMCLK2CLK3DYRK1A
SCHEMBL3536504 0.82 FGFR1 (0.73) CLK2CLK3DYRK1AFGFR1MAP3K8
SCHEMBL15306836 0.80 CLK3 (0.71) CLK2CLK3DYRK1AMAP3K8PDPK1
SCHEMBL5953085 0.80 FGFR1 (0.51) CLK2DYRK1AFGFR1MAP3K8PDPK1
SCHEMBL3537973 0.79 PDPK1 (0.51) FGFR1MAP3K8PDPK1ITKFLT1
SCHEMBL3538485 0.79 PDPK1 (0.51) FGFR1PDPK1ITKFLT1FLT3
SCHEMBL3538551 0.79 WNT1 (0.49) CLK2CLK3DYRK1AFGFR1MAP3K8

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 1562/4885PKM 1235/4885CLK2 506/4885

“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.