SCHEMBL1623698

SCHEMBL1623698

OC1CCCN(CCCOc2ccc3cc(-c4n[nH]c5cc(-c6ccccc6)sc45)[nH]c3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.50
LCK P06239 1/20 0.50
TXK P42681 1/20 0.50
SYK P43405 1/20 0.50
SIGMAR1 Q99720 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
HRH3 Q9Y5N1 7/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
KDR P35968 2/20 0.38
LTA4H P09960 2/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
AURKA O14965 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL12717720 0.94 ITK (0.47) ITKLCKTXKSYKSIGMAR1
SCHEMBL1622855 0.91 LCK (0.53) ITKLCKTXKSYKSIGMAR1
SCHEMBL1622695 0.89 LCK (0.54) ITKLCKTXKSYKFGFR1
SCHEMBL1623222 0.84 ITK (0.45) ITKLCKTXKSYKSIGMAR1
SCHEMBL1622429 0.84 ITK (0.49) ITKLCKTXKSYKSIGMAR1
SCHEMBL13869819 0.82 SIGMAR1 (0.42) SIGMAR1FGFR1FLT1HRH3HRH2
SCHEMBL1621731 0.80 LCK (0.48) ITKLCKTXKSYKSIGMAR1
SCHEMBL12748610 0.79 HRH3 (0.42) SIGMAR1FGFR1FLT1HRH3HRH2
SCHEMBL1622691 0.78 HRH3 (0.43) ITKLCKTXKSYKSIGMAR1
SCHEMBL1621466 0.78 HRH3 (0.48) FGFR1FLT1HRH3KDRCLK2

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 ITK 1/4885LCK 46/4885TXK 6/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 ITK 1/4885LCK 59/4885TXK 12/4885

“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.