SCHEMBL4007171

SCHEMBL4007171

NC(=O)c1n[nH]c2ccc(OS(=O)(=O)c3cccc(F)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.44
▸ TTK P33981 4/20 0.40
▸ MAP2K4 P45985 3/20 0.39
▸ MAP2K7 O14733 1/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ DYRK1A Q13627 4/20 0.38
▸ GPR17 Q13304 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ITK Q08881 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
SCHEMBL4008126 0.91 NTRK1 (0.44) NTRK1MAP2K4MAP2K7DYRK1AGPR17
SCHEMBL4015191 0.86 NTRK1 (0.48) NTRK1DYRK1APRKAG1PRKAA1PRKAB1
SCHEMBL4014470 0.85 TTK (0.41) TTKMAP2K4MAP2K7MAPK8GPR17
SCHEMBL4006597 0.84 CSNK2A1 (0.52) DYRK1AGPR17PRKAA1CSNK2A1WNT1
SCHEMBL4008249 0.82 TTK (0.41) TTKMAP2K4MAP2K7MAPK8GPR17
SCHEMBL4004563 0.82 TTK (0.41) TTKMAP2K4MAP2K7MAPK8GPR17
SCHEMBL4008264 0.82 TTK (0.43) TTKMAP2K4MAP2K7MAPK8GPR17
SCHEMBL4008113 0.81 APEX1 (0.49) NTRK1TTKMAPK8PRKAG1PRKAA1
SCHEMBL4004440 0.80 TTK (0.52) TTKMAP2K4MAP2K7MAPK8DYRK1A
SCHEMBL4006373 0.79 NTRK1 (0.41) NTRK1TTKMAP2K4MAP2K7MAPK8

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 NTRK1 1342/4885TTK 215/4885MAP2K4 340/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1376/4885TTK 223/4885MAP2K4 328/4885

“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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