SCHEMBL1115879

SCHEMBL1115879

CN(C)S(=O)(=O)c1cccc(Nc2nc(NC3=CC=CC(=CS(N)(=O)=O)C3)ncc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.44
JAK1 P23458 2/20 0.43
JAK3 P52333 1/20 0.43
AURKA O14965 1/20 0.41
CDK2 P24941 4/20 0.41
CCNT1 O60563 4/20 0.41
CDK9 P50750 4/20 0.41
CCNE1 P24864 3/20 0.41
CCNE2 O96020 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
KDR P35968 1/20 0.39
EGFR P00533 3/20 0.38
BTK Q06187 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK7 P50613 1/20 0.38

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
SCHEMBL1115779 1.00 SYK (0.44) SYKJAK1JAK3AURKACDK2
SCHEMBL1115829 0.89 SYK (0.45) SYKJAK1JAK3AURKACDK2
SCHEMBL1115766 0.89 SYK (0.45) SYKJAK1JAK3AURKACDK2
SCHEMBL4971271 0.87 JAK3 (0.48) SYKJAK1JAK3AURKACDK2
SCHEMBL4971266 0.87 JAK3 (0.48) SYKJAK1JAK3AURKACDK2
SCHEMBL1115635 0.84 CDK9 (0.34) SYKJAK3AURKACDK2CCNT1
SCHEMBL1115639 0.84 CDK9 (0.34) SYKJAK3AURKACDK2CCNT1
SCHEMBL1116016 0.82 SYK (0.38) SYKJAK3AURKACDK2CDK9
SCHEMBL1115978 0.82 SYK (0.38) SYKJAK3AURKACDK2CDK9
SCHEMBL1115780 0.82 JAK1 (0.43) SYKJAK1JAK3AURKACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193197-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-06-05 US claimed
EP-2089369-B1 2,4 -PYRIMIDINEDIAMINE DERIVATIVES AS INHIBITORS OF JAK KINASES FOR THE TREATMENT OF AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS INC (US) 2011-02-02 EP claimed
EP-2089369-A2 2,4 -PYRIMIDINEDIAMINE DERIVATIVES AS INHIBITORS OF JAK KINASES FOR THE TREATMENT OF AUTOIMMUNE DISEASES Rigel Pharmaceuticals, Inc. (US) 2009-08-19 EP claimed
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-08-14 US claimed
WO-2008049123-A2 2,4-PYRIMIDINEDIAMINE DERIVATIVES AS INHIBITORS OF JAK KINASES FOR THE TREATMENT OF AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-04-24 WO claimed
US-9040543-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8729087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-05-20 US disclosed
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-08-23 US disclosed
US-8193197-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2089369-B1 2,4 -PYRIMIDINEDIAMINE DERIVATIVES AS INHIBITORS OF JAK KINASES FOR THE TREATMENT OF AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS INC (US) 2011-02-02 EP disclosed
EP-2089369-A2 2,4 -PYRIMIDINEDIAMINE DERIVATIVES AS INHIBITORS OF JAK KINASES FOR THE TREATMENT OF AUTOIMMUNE DISEASES Rigel Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008049123-A2 2,4-PYRIMIDINEDIAMINE DERIVATIVES AS INHIBITORS OF JAK KINASES FOR THE TREATMENT OF AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-04-24 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 (3 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-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 SYK 42/4885JAK1 2/4885JAK3 3/4885
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 SYK 42/4885JAK1 2/4885JAK3 3/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 SYK 162/4885JAK1 1/4885JAK3 2/4885

“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.