SCHEMBL4356714

SCHEMBL4356714

CC1(C)Oc2cc(Nc3nc(NC4=CC=CC(=CS(N)(=O)=O)C4)ncc3F)cnc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.43
BRD4 O60885 2/20 0.42
EGFR P00533 4/20 0.42
ADORA3 P0DMS8 2/20 0.42
TYRO3 Q06418 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
JAK2 O60674 2/20 0.42
LCK P06239 2/20 0.42
LYN P07948 2/20 0.42
FGFR4 P22455 2/20 0.42
ITK Q08881 2/20 0.42
BMPR1B O00238 1/20 0.42
CDC7 O00311 1/20 0.42
PIK3CD O00329 1/20 0.42
PLK4 O00444 1/20 0.42
STK25 O00506 1/20 0.42
CIT O14578 1/20 0.42
RIOK3 O14730 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL4364743 0.85 SYK (0.37) SYKEGFRADORA3TYRO3JAK1
SCHEMBL1115978 0.79 SYK (0.38) SYKEGFRTYRO3JAK3JAK2
SCHEMBL1116016 0.79 SYK (0.38) SYKEGFRTYRO3JAK3JAK2
SCHEMBL1115635 0.77 CDK9 (0.34) SYKEGFRTYRO3JAK3JAK2
SCHEMBL1115639 0.77 CDK9 (0.34) SYKEGFRTYRO3JAK3JAK2
SCHEMBL4934221 0.76 JAK1 (0.64) SYKBRD4EGFRADORA3TYRO3
SCHEMBL4138063 0.76 SYK (0.55) SYKBRD4EGFRADORA3TYRO3
SCHEMBL1115643 0.75 AURKA (0.34) SYKEGFRTYRO3JAK3JAK2
SCHEMBL1115640 0.75 AURKA (0.34) SYKEGFRTYRO3JAK3JAK2
SCHEMBL1115829 0.73 SYK (0.45) SYKJAK1JAK3AURKAGAK

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-9040543-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US claimed
US-20140234333-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-08-23 US 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-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 42/4885BRD4 687/4885EGFR 402/4885
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 SYK 42/4885BRD4 687/4885EGFR 402/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 SYK 162/4885BRD4 2584/4885EGFR 1582/4885

“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.