SCHEMBL1622112

SCHEMBL1622112

Brc1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.55
LCK P06239 3/20 0.55
TXK P42681 3/20 0.55
SYK P43405 3/20 0.55
CYP19A1 P11511 1/20 0.46
CSNK2A1 P68400 2/20 0.38
DCLK1 O15075 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
CSF1R P07333 1/20 0.38
FER P16591 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
CSNK1G2 P78368 1/20 0.38

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
SCHEMBL1628603 0.82 ITK (0.62) ITKLCKTXKSYKAURKB
SCHEMBL1622468 0.81 ITK (0.57) ITKLCKTXKSYKCHEK1
SCHEMBL2900919 0.80 CYP19A1 (0.44) ITKLCKTXKSYKCYP19A1
SCHEMBL27645976 0.80 ITK (0.54) ITKLCKTXKSYKCSNK2A1
SCHEMBL1620556 0.77 ITK (0.51) ITKLCKTXKSYKCHEK1
SCHEMBL1623956 0.76 ITK (0.58) ITKLCKTXKSYKCHEK1
SCHEMBL1623125 0.76 ITK (0.50) ITKLCKTXKSYK
SCHEMBL1621994 0.75 ITK (0.72) ITKLCKTXKSYKCHEK1
SCHEMBL1622893 0.75 ITK (0.72) ITKLCKTXKSYKCHEK1
SCHEMBL1622709 0.75 ITK (0.72) ITKLCKTXKSYKCHEK1

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
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
CN-1849322-A Thienopyrazoles AVENTIS PHARMA INC (US) 2006-10-18 CN 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 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.