SCHEMBL4975433

SCHEMBL4975433

CS(=O)(=O)CS(=O)(=O)NCc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.56
JAK1 P23458 3/20 0.56
NTRK1 P04629 4/20 0.52
CDK2 P24941 6/20 0.51
CDK1 P06493 5/20 0.51
CCNT1 O60563 3/20 0.51
CCNB1 P14635 3/20 0.51
CDK9 P50750 3/20 0.51
CCNA2 P20248 2/20 0.51
CDK7 P50613 2/20 0.51
CCNH P51946 2/20 0.51
SYK P43405 5/20 0.50
AURKA O14965 5/20 0.50
PTK2 Q05397 4/20 0.50
CDK5 Q00535 3/20 0.50
AURKB Q96GD4 3/20 0.50
ITK Q08881 3/20 0.50
CDC7 O00311 2/20 0.50
PLK4 O00444 2/20 0.50
CHEK1 O14757 2/20 0.50

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
SCHEMBL4976268 0.92 JAK3 (0.58) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4972327 0.91 AURKA (0.55) JAK3NTRK1CDK2CDK1CCNT1
SCHEMBL4971377 0.88 JAK3 (0.56) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL17685310 0.88 JAK3 (0.57) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4975607 0.87 SYK (0.60) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4973298 0.87 JAK3 (0.56) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4973989 0.85 NTRK1 (0.60) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4975727 0.85 JAK3 (0.56) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4972992 0.84 JAK3 (0.60) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL3997808 0.84 JAK3 (0.56) JAK3JAK1NTRK1CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991532-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-01-11 EP claimed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US claimed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP claimed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO claimed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
EP-1991532-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-01-11 EP disclosed
US-9481654-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2015-06-11 US disclosed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP disclosed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 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-20070203162-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885NTRK1 4560/4885
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4361/4885

“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.