SCHEMBL4006373

SCHEMBL4006373

N#Cc1n[nH]c2ccc(OS(=O)(=O)c3cccc(F)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.41
▸ TTK P33981 3/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ MAP2K4 P45985 5/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ ITK Q08881 1/20 0.35
▸ ALPL P05186 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ MAP2K7 O14733 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ GPR17 Q13304 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ CNR2 P34972 1/20 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
SCHEMBL4009669 0.91 NTRK1 (0.41) NTRK1TTKNTRK3MAP2K4ITK
SCHEMBL4014470 0.84 TTK (0.41) TTKMAP2K4MAPK8ITKHTR6
SCHEMBL4008249 0.83 TTK (0.41) TTKMAP2K4MAPK8ITKHTR6
SCHEMBL4004563 0.83 TTK (0.41) TTKMAP2K4MAPK8ITKHTR6
SCHEMBL4008264 0.83 TTK (0.43) TTKMAP2K4MAPK8ITKHTR6
SCHEMBL4004440 0.81 TTK (0.52) TTKNTRK3MAP2K4MAPK8MAP2K7
SCHEMBL4004276 0.81 APEX1 (0.50) NTRK1TTKNTRK3ALPLALPI
SCHEMBL4007171 0.79 NTRK1 (0.44) NTRK1TTKMAP2K4MAPK8ITK
SCHEMBL4015160 0.79 APEX1 (0.47) NTRK1NTRK3ALPLALPI
SCHEMBL4012823 0.78 ITK (0.56) NTRK1MAP2K4ITKMAP2K7PGR

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 6 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
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — WO 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 215/4885NTRK3 822/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1376/4885TTK 223/4885NTRK3 891/4885

“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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