SCHEMBL6414608

SCHEMBL6414608

O=S(=O)(Nc1cc2c(-c3ccc[nH]3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.38
▸ MAP2K4 P45985 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SGK1 O00141 1/20 0.35
▸ MAP2K7 O14733 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AURKB Q96GD4 3/20 0.33

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
SCHEMBL6410524 0.81 ITK (0.52) ITKALDH1A1
SCHEMBL6411955 0.80 CKS1B (0.41) ITKMAP2K4CA1CA2CA9
SCHEMBL6414471 0.76 PTGES2 (0.41) MAP2K4CA1CA2CA9ALDH1A1
SCHEMBL6410631 0.75 ITK (0.55) ITKCA12CA1CA2CA9
SCHEMBL6410600 0.74 AURKA (0.47) CA12CA1CA2CA3CA6
SCHEMBL6410604 0.74 AURKA (0.47) CA12CA1CA2CA3CA6
SCHEMBL1098417 0.63 LMNA (0.50) CA1CA2CA9PKMALDH1A1
SCHEMBL5326022 0.62 KEAP1 (0.53) CA12CA1CA2CA9PKM
SCHEMBL381383 0.61 IDO1 (0.58) ITKMAP2K4ALDH1A1GAAAURKA
SCHEMBL5537040 0.60 GSK3B (0.49) SGK1AURKB

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 2307/4885MAP2K4 4218/4885CA12 4613/4885

“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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