SCHEMBL3537440

SCHEMBL3537440

Fc1ccc2c(-c3nc4cncnc4[nH]3)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.48
MAP2K4 P45985 7/20 0.47
ITK Q08881 3/20 0.46
FGFR1 P11362 3/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 1/20 0.44
MAP2K7 O14733 1/20 0.43
WNT1 P04628 2/20 0.42
FLT3 P36888 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPK6 Q16659 2/20 0.41
TGFBR1 P36897 1/20 0.41
HTR2A P28223 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40

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
SCHEMBL3538551 0.90 WNT1 (0.49) CHEK1ITKFGFR1FLT1WNT1
SCHEMBL3598153 0.78 ALDH1A1 (0.57) CHEK1MAP2K4ITKFGFR1FLT1
SCHEMBL3543632 0.76 FGFR1 (0.71) CHEK1MAP2K4ITKFGFR1FLT1
SCHEMBL5953214 0.74 CHEK1 (0.53) CHEK1MAP2K4ITKFGFR1FLT1
SCHEMBL31006253 0.70 FLT3 (0.48) CHEK1ITKFGFR1FLT1KDR
SCHEMBL17639100 0.70 WNT1 (0.48) CHEK1WNT1TGFBR1
SCHEMBL31172403 0.69 CHEK1 (0.70) CHEK1MAP2K4FGFR1FLT1KDR
SCHEMBL3538807 0.68 ALDH1A1 (0.58) CHEK1ITKFGFR1FLT1WNT1
SCHEMBL31172354 0.68 CHEK1 (0.68) CHEK1MAP2K4FGFR1FLT1FLT3
SCHEMBL3537361 0.68 ITK (0.46) ITKFGFR1WNT1FLT3TGFBR1

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 CHEK1 798/4885MAP2K4 1134/4885ITK 1055/4885

“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.