SCHEMBL1115643

SCHEMBL1115643

CNS(=O)(=O)C=C1C=CC=C(Nc2nc(NC3=CC=CC(=CS(N)(=O)=O)C3)ncc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.34
SYK P43405 9/20 0.34
AURKB Q96GD4 5/20 0.34
CDK2 P24941 4/20 0.34
JAK2 O60674 3/20 0.34
ITK Q08881 3/20 0.34
PLK4 O00444 2/20 0.34
PDPK1 O15530 2/20 0.34
MAP4K4 O95819 2/20 0.34
NTRK1 P04629 2/20 0.34
INSR P06213 2/20 0.34
LCK P06239 2/20 0.34
FYN P06241 2/20 0.34
CDK1 P06493 2/20 0.34
CSF1R P07333 2/20 0.34
LYN P07948 2/20 0.34
ROS1 P08922 2/20 0.34
FGFR1 P11362 2/20 0.34
SRC P12931 2/20 0.34
FLT1 P17948 2/20 0.34

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
SCHEMBL1115640 1.00 AURKA (0.34) AURKASYKAURKBCDK2JAK2
SCHEMBL1115978 0.93 SYK (0.38) AURKASYKAURKBCDK2JAK2
SCHEMBL1116016 0.93 SYK (0.38) AURKASYKAURKBCDK2JAK2
SCHEMBL1115820 0.90 SYK (0.32) AURKASYKAURKBCDK2JAK2
SCHEMBL1115583 0.89 CDK7 (0.36) AURKASYKAURKBCDK2JAK2
SCHEMBL1115590 0.89 CDK7 (0.36) AURKASYKAURKBCDK2JAK2
SCHEMBL1115635 0.88 CDK9 (0.34) AURKASYKAURKBCDK2JAK2
SCHEMBL1115639 0.88 CDK9 (0.34) AURKASYKAURKBCDK2JAK2
SCHEMBL1115818 0.87 CDK7 (0.32) SYKEGFRCDK7CDK9BTK
SCHEMBL1115763 0.85 AURKA (0.38) AURKAAURKBCDK2CDK1FLT3

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 AURKA 590/4885SYK 42/4885AURKB 343/4885
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 AURKA 590/4885SYK 42/4885AURKB 343/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 AURKA 3390/4885SYK 162/4885AURKB 2651/4885

“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.