SCHEMBL1622908

SCHEMBL1622908

CN(CCO)CCCOc1ccc2cc(-c3n[nH]c4ccsc34)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 17/20 0.52
LCK P06239 6/20 0.52
TXK P42681 6/20 0.52
SYK P43405 6/20 0.52
KDR P35968 2/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
CCNB2 O95067 1/20 0.40
ABL1 P00519 1/20 0.40
CDK1 P06493 1/20 0.40
PDGFRB P09619 1/20 0.40
CDK4 P11802 1/20 0.40
SRC P12931 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
WEE1 P30291 1/20 0.40
TTK P33981 1/20 0.40

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
SCHEMBL1622165 0.89 ITK (0.54) ITKLCKTXKSYKKDR
SCHEMBL1623510 0.86 ITK (0.55) ITKLCKTXKSYKKDR
SCHEMBL1621279 0.81 ITK (0.48) ITKLCKTXKSYKKDR
SCHEMBL13354350 0.80 ITK (0.55) ITKLCKTXKSYKKDR
SCHEMBL13886592 0.79 ITK (0.36) ITKKDRPLK4CHEK1AURKA
SCHEMBL12717383 0.79 ITK (0.50) ITKLCKTXKSYKKDR
SCHEMBL1621980 0.78 ITK (0.52) ITKLCKTXKSYKKDR
SCHEMBL1621737 0.77 HRH3 (0.51) ITKLCKTXKSYKKDR
SCHEMBL27645971 0.76 ITK (0.62) ITKLCKTXKSYKKDR
SCHEMBL1621132 0.76 LCK (0.50) ITKLCKTXKSYKKDR

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 20 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-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

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.