SCHEMBL4013401

SCHEMBL4013401

Cc1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ ITK Q08881 4/20 0.56
▸ MAP2K4 P45985 5/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ MAP2K7 O14733 1/20 0.50
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SGK1 O00141 1/20 0.47
▸ KIT P10721 2/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN5 P54829 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
SCHEMBL1460661 0.91 ITK (0.55) MAPTITKMAPK1AURKAAURKB
SCHEMBL1460573 0.89 ITK (0.54) MAPTITKMAP2K4MAPK1MAP2K7
SCHEMBL4005397 0.87 ITK (0.55) MAPTITKMAP2K4MAPK1AURKA
SCHEMBL5381750 0.84 MAP2K4 (0.68) ITKMAP2K4MAP2K7AURKAAURKB
SCHEMBL1460786 0.82 MAP2K4 (0.68) ITKMAP2K4MAP2K7AURKAAURKB
SCHEMBL1460534 0.82 ITK (0.66) ITKMAP2K4MAPK1MAP2K7AURKA
SCHEMBL1461810 0.81 ITK (0.57) MAPTITKMAP2K4MAPK1AURKA
SCHEMBL1460633 0.81 ITK (0.55) MAPTITKMAP2K4MAPK1MAP2K7
SCHEMBL1461858 0.81 ITK (0.55) MAPTITKMAP2K4MAPK1MAP2K7
SCHEMBL1461021 0.81 NTRK1 (0.57) ITKMAP2K4MAPK1MAP2K7AURKA

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 MAPT 2426/4885ITK 222/4885MAP2K4 340/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 MAPT 3070/4885ITK 266/4885MAP2K4 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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