SCHEMBL6410604

SCHEMBL6410604

O=S(=O)(Nc1cc2c(C=Cc3ccccc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ CHEK1 O14757 10/20 0.41
▸ KDR P35968 7/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6410600 1.00 AURKA (0.47) AURKAAURKBCHEK1KDRFGFR1
SCHEMBL6414608 0.74 ITK (0.38) AURKAAURKBCA12CA1CA2
SCHEMBL6411955 0.72 CKS1B (0.41) HDAC1CA1CA2CA9ALDH1A1
SCHEMBL6410524 0.71 ITK (0.52) CHEK1ALDH1A1
Hydrochloric Acid SCHEMBL1598189 0.70 AURKA (0.53) AURKAAURKBCHEK1KDRFGFR1
Hydrochloric Acid SCHEMBL1598191 0.70 AURKA (0.53) AURKAAURKBCHEK1KDRFGFR1
SCHEMBL6410631 0.68 ITK (0.55) AURKAAURKBCHEK1KDRCDK1
SCHEMBL6409013 0.68 KDR (0.45) AURKAAURKBCHEK1KDRFGFR1
SCHEMBL6409018 0.68 KDR (0.45) AURKAAURKBCHEK1KDRFGFR1
SCHEMBL28145939 0.65 CA1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

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 AURKA 941/4885AURKB 1350/4885CHEK1 474/4885

“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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