SCHEMBL1620865

SCHEMBL1620865

c1cc2[nH]nc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.51
KDR P35968 4/20 0.50
AURKA O14965 3/20 0.50
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
CHEK1 O14757 1/20 0.47
CDK7 P50613 1/20 0.47
LCK P06239 2/20 0.46
TXK P42681 2/20 0.46
SYK P43405 2/20 0.46
ITK Q08881 2/20 0.46
HTR3A P46098 1/20 0.46
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
DYRK1A Q13627 2/20 0.46
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT3 P36888 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
SCHEMBL1621737 0.93 HRH3 (0.51) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1623203 0.89 KDR (0.53) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1622691 0.88 HRH3 (0.43) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1622953 0.86 LCK (0.41) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1622655 0.86 KDR (0.47) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1621980 0.84 ITK (0.52) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1622372 0.82 FGFR1 (0.69) HRH3FGFR1FLT1HTR3A
SCHEMBL1621132 0.82 LCK (0.50) HRH3KDRAURKAFGFR1FLT1
SCHEMBL1623222 0.81 ITK (0.45) HRH3FGFR1FLT1LCKTXK
SCHEMBL13886336 0.80 HRH3 (0.49) HRH3KDRAURKAFGFR1FLT1

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 22 patents — showing the first 20. 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-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
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO 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 884/4885KDR 591/4885AURKA 593/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 HRH3 986/4885KDR 544/4885AURKA 813/4885

“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.