SCHEMBL13869874

SCHEMBL13869874

OC1CCN(CCCOc2ccc3nc(-c4n[nH]c5ccsc45)[nH]c3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.58
FLT1 P17948 2/20 0.58
HRH4 Q9H3N8 2/20 0.47
DRD3 P35462 5/20 0.44
CHEK2 O96017 1/20 0.43
DRD2 P14416 4/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
ACHE P22303 5/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
RUNX1 Q01196 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL1622372 0.89 FGFR1 (0.69) FGFR1FLT1HRH4DRD3CHEK2
SCHEMBL13869880 0.89 FGFR1 (0.61) FGFR1FLT1HRH4DRD3CHEK2
SCHEMBL13869876 0.85 FGFR1 (0.55) FGFR1FLT1HRH4DRD3CHEK2
SCHEMBL1621132 0.85 LCK (0.50) FGFR1FLT1DRD3DRD2AURKA
SCHEMBL1623203 0.83 KDR (0.53) FGFR1FLT1DRD3AURKAKDR
SCHEMBL1621731 0.80 LCK (0.48) FGFR1FLT1DRD3DRD2AURKA
SCHEMBL1622655 0.79 KDR (0.47) FGFR1FLT1AURKAKDRHRH3
SCHEMBL1623222 0.76 ITK (0.45) FGFR1FLT1DRD3DRD2HRH3
SCHEMBL12748914 0.75 HRH3 (0.40) DRD3AURKAKDRACHEHRH3
SCHEMBL13869882 0.74 FGFR1 (0.43) FGFR1FLT1HRH4CHEK2ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 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-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 FGFR1 846/4885FLT1 1207/4885HRH4 818/4885

“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.