SCHEMBL4005400

SCHEMBL4005400

CNC(=O)c1n[nH]c2ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.45
▸ PAK1 Q13153 3/20 0.43
▸ PRKAG1 P54619 2/20 0.42
▸ PRKAA1 Q13131 2/20 0.42
▸ PRKAB1 Q9Y478 2/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41
▸ NTRK1 P04629 7/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL4008006 0.96 YTHDC1 (0.45) APEX1YTHDC1PAK1PRKAG1PRKAA1
SCHEMBL4010178 0.86 FLT3 (0.51) APEX1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL4008113 0.86 APEX1 (0.49) APEX1PAK1PRKAG1PRKAA1PRKAB1
SCHEMBL4015191 0.82 NTRK1 (0.48) YTHDC1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL6556007 0.82 NTRK1 (0.39) APEX1YTHDC1PAK1PRKAG1PRKAA1
SCHEMBL4014969 0.82 FLT3 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL4008733 0.82 APEX1 (0.46) APEX1PAK1PRKAG1PRKAA1PRKAB1
SCHEMBL4008027 0.81 APEX1 (0.53) APEX1DYRK1A
SCHEMBL4008175 0.81 APEX1 (0.53) APEX1
SCHEMBL4015098 0.81 APEX1 (0.56) APEX1

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-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — 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 (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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2215/4885YTHDC1 4321/4885PAK1 339/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2168/4885YTHDC1 4416/4885PAK1 376/4885

“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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