SCHEMBL13869730

SCHEMBL13869730

CCC(O)(c1ccccc1)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITK Q08881 19/20 0.67
LCK P06239 6/20 0.67
TXK P42681 6/20 0.67
SYK P43405 6/20 0.67
CHEK1 O14757 1/20 0.35

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
SCHEMBL1623080 0.88 ITK (0.64) ITKLCKTXKSYKCHEK1
SCHEMBL1622620 0.87 ITK (0.65) ITKLCKTXKSYK
SCHEMBL1620633 0.87 ITK (0.65) ITKLCKTXKSYK
SCHEMBL1622893 0.85 ITK (0.72) ITKLCKTXKSYKCHEK1
SCHEMBL1621994 0.85 ITK (0.72) ITKLCKTXKSYKCHEK1
SCHEMBL1622709 0.85 ITK (0.72) ITKLCKTXKSYKCHEK1
SCHEMBL1622189 0.82 LCK (0.56) ITKLCKTXKSYKCHEK1
SCHEMBL1622213 0.80 ITK (1.00) ITKLCKTXKSYKCHEK1
SCHEMBL1622311 0.79 ITK (0.62) ITKLCKTXKSYKCHEK1
SCHEMBL13354245 0.79 ITK (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.