SCHEMBL1622372

SCHEMBL1622372

c1cc2[nH]nc(-c3nc4ccc(OCCCN5CCCCC5)cc4[nH]3)c2s1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.69
FLT1 P17948 1/20 0.69
CHEK2 O96017 2/20 0.51
HRH4 Q9H3N8 2/20 0.50
ACHE P22303 6/20 0.49
DRD3 P35462 1/20 0.46
LTA4H P09960 1/20 0.45
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR3A P46098 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL13869880 0.92 FGFR1 (0.61) FGFR1FLT1CHEK2HRH4ACHE
SCHEMBL13869874 0.89 FGFR1 (0.58) FGFR1FLT1CHEK2HRH4ACHE
SCHEMBL13869876 0.87 FGFR1 (0.55) FGFR1FLT1CHEK2HRH4ACHE
SCHEMBL1621737 0.84 HRH3 (0.51) FGFR1FLT1DRD3HRH3HTR3A
SCHEMBL1620865 0.82 HRH3 (0.51) FGFR1FLT1HRH3HTR3A
SCHEMBL1623412 0.81 FGFR1 (0.71) FGFR1FLT1CHEK2HRH4ACHE
Hydrochloric Acid SCHEMBL1622912 0.80 FGFR1 (0.70) FGFR1FLT1CHEK2HRH4ACHE
SCHEMBL1620912 0.80 FGFR1 (0.51) FGFR1FLT1KCNH2HRH3HTR3A
SCHEMBL2898132 0.80 FGFR1 (0.51) FGFR1FLT1KCNH2HRH3HTR3A
SCHEMBL21018072 0.80 CHEK2 (0.74) FGFR1FLT1CHEK2HRH4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US claimed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US claimed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US claimed
JP-2007505038-A 2007-03-08 JP claimed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP claimed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO claimed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
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-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
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 (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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 FGFR1 883/4885FLT1 1395/4885CHEK2 233/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 FGFR1 846/4885FLT1 1207/4885CHEK2 297/4885

“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.