SCHEMBL1621980

SCHEMBL1621980

CCN1CCN(CCCOc2ccc3cc(-c4n[nH]c5ccsc45)[nH]c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.52
LCK P06239 3/20 0.52
TXK P42681 3/20 0.52
SYK P43405 3/20 0.52
AURKA O14965 2/20 0.44
KDR P35968 2/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 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
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 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
SCHEMBL1621737 0.92 HRH3 (0.51) ITKLCKTXKSYKAURKA
SCHEMBL1621132 0.88 LCK (0.50) ITKLCKTXKSYKAURKA
SCHEMBL1621731 0.85 LCK (0.48) ITKLCKTXKSYKAURKA
SCHEMBL13869880 0.84 FGFR1 (0.61) FGFR1FLT1DRD3DRD2
SCHEMBL1620865 0.84 HRH3 (0.51) ITKLCKTXKSYKAURKA
SCHEMBL1623222 0.84 ITK (0.45) ITKLCKTXKSYKFGFR1
SCHEMBL1621942 0.82 ITK (0.44) ITKLCKTXKSYKKDR
SCHEMBL13354350 0.82 ITK (0.55) ITKLCKTXKSYKAURKA
SCHEMBL1623510 0.82 ITK (0.55) ITKLCKTXKSYKAURKA
SCHEMBL1622165 0.82 ITK (0.54) ITKLCKTXKSYKAURKA

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 24 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
CN-100398545-C Thienopyrazoles AVENTIS PHARMA INC (US) 2008-07-02 CN claimed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US claimed
JP-2007505038-A 2007-03-08 JP claimed
CN-1849322-A Thienopyrazoles AVENTIS PHARMA INC (US) 2006-10-18 CN 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-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
CN-100398545-C Thienopyrazoles AVENTIS PHARMA INC (US) 2008-07-02 CN 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
CN-1849322-A Thienopyrazoles AVENTIS PHARMA INC (US) 2006-10-18 CN 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.