SCHEMBL1620912

SCHEMBL1620912

Brc1c(-c2n[nH]c3ccsc23)[nH]c2cc(OCCCN3CCCCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
HTR3A P46098 3/20 0.42
HRH3 Q9Y5N1 7/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LCK P06239 2/20 0.40
TXK P42681 2/20 0.40
SYK P43405 2/20 0.40
ITK Q08881 2/20 0.40
XDH P47989 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CHEK1 O14757 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 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
SCHEMBL2898132 0.91 FGFR1 (0.51) FGFR1FLT1HTR3AHRH3LCK
SCHEMBL1621737 0.81 HRH3 (0.51) FGFR1FLT1HTR3AHRH3LCK
SCHEMBL1622372 0.80 FGFR1 (0.69) FGFR1FLT1HTR3AHRH3KCNH2
SCHEMBL1620865 0.79 HRH3 (0.51) FGFR1FLT1HTR3AHRH3LCK
SCHEMBL13869844 0.76 HRH3 (0.39) FGFR1FLT1HTR3AHRH3LCK
SCHEMBL1797290 0.73 HRH3 (0.60) HRH3ATML3MBTL1HRH1KCNH2
SCHEMBL1621980 0.73 ITK (0.52) FGFR1FLT1HTR3AHRH3LCK
SCHEMBL1792471 0.72 HRH3 (0.58) HRH3ATML3MBTL1XDHHRH1
SCHEMBL13869880 0.72 FGFR1 (0.61) FGFR1FLT1
SCHEMBL1621132 0.71 LCK (0.50) FGFR1FLT1HTR3AHRH3LCK

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 16 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-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 1395/4885HTR3A 1374/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 FGFR1 846/4885FLT1 1207/4885HTR3A 1661/4885

“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.