SCHEMBL4012823

SCHEMBL4012823

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.56
MAP2K4 P45985 13/20 0.56
NTRK1 P04629 1/20 0.48
MAP2K7 O14733 4/20 0.48
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.46
KIT P10721 1/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL4007700 0.91 LMNA (0.57) ITKMAP2K4NTRK1MAP2K7LMNA
SCHEMBL1460521 0.84 ITK (0.60) ITKMAP2K4MAP2K7LMNAKMT2A
SCHEMBL1461070 0.84 ITK (0.60) ITKMAP2K4MAP2K7KMT2AKIT
SCHEMBL1460678 0.83 ITK (0.64) ITKMAP2K4MAP2K7KMT2AKIT
SCHEMBL1460974 0.83 ITK (0.59) ITKMAP2K4MAP2K7BRD4KMT2A
SCHEMBL1460719 0.83 ITK (0.59) ITKMAP2K4MAP2K7KMT2APGR
SCHEMBL1460692 0.81 MAP2K4 (0.66) ITKMAP2K4MAP2K7
SCHEMBL4009076 0.81 MAP2K4 (0.48) MAP2K4LMNATP53MAPTKMT2A
SCHEMBL4008411 0.80 ITK (0.56) ITKMAP2K4MAP2K7LMNAMAPT
SCHEMBL1460931 0.80 ITK (0.59) ITKMAP2K4MAP2K7KMT2AKIT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US claimed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
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 ITK 222/4885MAP2K4 340/4885NTRK1 1342/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 ITK 266/4885MAP2K4 328/4885NTRK1 1376/4885

“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.