SCHEMBL6410524

SCHEMBL6410524

O=S(=O)(Nc1cc2c(-c3cc4ccccc4[nH]3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 18/20 0.52
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHEK1 O14757 1/20 0.39

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
SCHEMBL6410631 0.86 ITK (0.55) ITKCHEK1
SCHEMBL6411955 0.82 CKS1B (0.41) ITKALDH1A1
SCHEMBL6414608 0.81 ITK (0.38) ITKALDH1A1
SCHEMBL4008159 0.78 ITK (0.79) ITK
SCHEMBL6414471 0.78 PTGES2 (0.41) ALDH1A1HSD17B10
SCHEMBL6410583 0.76 CLK2 (0.49) ITKALDH1A1MAPK1HSD17B10
SCHEMBL6409034 0.75 ITK (0.52) ITKCHEK1
SCHEMBL6410604 0.71 AURKA (0.47) ALDH1A1CHEK1
SCHEMBL6410600 0.71 AURKA (0.47) ALDH1A1CHEK1
SCHEMBL6415974 0.70 ITK (0.62) ITKMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products AVENTIS PHARMA S.A. (FR) 2005-02-03 — — 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-20050026984-A1 Substituted thieno [2,3-c] pyrazoles and their use as medicinal products TPMT, PARK7, PRNP ITK 2307/4885ALDH1A1 696/4885MAPK1 3124/4885

“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.

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