SCHEMBL1621737

SCHEMBL1621737

c1cc2[nH]nc(-c3cc4ccc(OCCCN5CCCCC5)cc4[nH]3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.51
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
LCK P06239 3/20 0.48
TXK P42681 3/20 0.48
SYK P43405 3/20 0.48
ITK Q08881 3/20 0.48
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46
HTR3A P46098 4/20 0.44
KDR P35968 2/20 0.42
AURKA O14965 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL1620865 0.93 HRH3 (0.51) HRH3FGFR1FLT1LCKTXK
SCHEMBL1621980 0.92 ITK (0.52) HRH3FGFR1FLT1LCKTXK
SCHEMBL1621132 0.89 LCK (0.50) HRH3FGFR1FLT1LCKTXK
SCHEMBL1623222 0.88 ITK (0.45) HRH3FGFR1FLT1LCKTXK
SCHEMBL1621942 0.86 ITK (0.44) HRH3FGFR1FLT1LCKTXK
SCHEMBL1621731 0.86 LCK (0.48) HRH3FGFR1FLT1LCKTXK
SCHEMBL1622372 0.84 FGFR1 (0.69) HRH3FGFR1FLT1HTR3ADRD3
SCHEMBL1623224 0.84 FGFR1 (0.48) HRH3FGFR1FLT1CLK2CLK3
SCHEMBL1622695 0.82 LCK (0.54) HRH3FGFR1FLT1LCKTXK
SCHEMBL1623203 0.82 KDR (0.53) HRH3FGFR1FLT1LCKTXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP claimed
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
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP 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 HRH3 884/4885FGFR1 883/4885FLT1 1395/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 HRH3 986/4885FGFR1 846/4885FLT1 1207/4885

“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.