SCHEMBL1115775

SCHEMBL1115775

Cc1cnc(Nc2ccc(CNS(=O)(=O)c3cccnc3)cc2)nc1Nc1ccc(CNS(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.49
MAPT P10636 2/20 0.47
JAK2 O60674 6/20 0.47
EGFR P00533 5/20 0.47
FLT3 P36888 4/20 0.47
ITK Q08881 4/20 0.47
RET P07949 3/20 0.47
WEE1 P30291 3/20 0.47
JAK3 P52333 3/20 0.47
ALK Q9UM73 3/20 0.47
BTK Q06187 3/20 0.47
PLK4 O00444 2/20 0.47
CHEK1 O14757 2/20 0.47
DCLK1 O15075 2/20 0.47
DAPK3 O43293 2/20 0.47
ROCK2 O75116 2/20 0.47
PAK4 O96013 2/20 0.47
ABL1 P00519 2/20 0.47
NTRK1 P04629 2/20 0.47
INSR P06213 2/20 0.47

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
SCHEMBL4975331 0.94 CA2 (0.55) AURKAJAK2EGFRFLT3ITK
SCHEMBL4974627 0.91 JAK3 (0.62) AURKAJAK2EGFRFLT3ITK
SCHEMBL4975504 0.91 JAK3 (0.51) AURKAJAK2EGFRFLT3ITK
SCHEMBL4971124 0.82 SYK (0.57) AURKAJAK2EGFRFLT3ITK
SCHEMBL4975370 0.82 AURKA (0.56) AURKAJAK2FLT3ITKJAK3
SCHEMBL4971154 0.81 JAK2 (0.53) AURKAMAPTJAK2FLT3JAK3
SCHEMBL4976368 0.81 BRD4 (0.54) AURKAJAK2EGFRFLT3ITK
SCHEMBL4974560 0.81 JAK1 (0.51) JAK2EGFRFLT3JAK3BTK
SCHEMBL4974495 0.80 FLT3 (0.54) JAK2EGFRFLT3ITKRET
SCHEMBL4974473 0.80 BRD4 (0.53) AURKAJAK2EGFRFLT3ITK

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 590/4885MAPT 3778/4885JAK2 1/4885
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 AURKA 590/4885MAPT 3778/4885JAK2 1/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 AURKA 3390/4885MAPT 4684/4885JAK2 3/4885

“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.