SCHEMBL4204794

SCHEMBL4204794

C#CCOc1ccc(Nc2nc(Nc3cccc(CS(N)(=O)=O)c3)ncc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 16/20 0.58
▸ EGFR P00533 4/20 0.55
▸ BTK Q06187 3/20 0.55
▸ ITK Q08881 4/20 0.52
▸ JAK2 O60674 3/20 0.52
▸ LYN P07948 3/20 0.52
▸ JAK3 P52333 3/20 0.52
▸ AURKA O14965 3/20 0.52
▸ PLK4 O00444 2/20 0.52
▸ PDPK1 O15530 2/20 0.52
▸ DAPK3 O43293 2/20 0.52
▸ MAP4K4 O95819 2/20 0.52
▸ PAK4 O96013 2/20 0.52
▸ CHEK2 O96017 2/20 0.52
▸ ERBB2 P04626 2/20 0.52
▸ NTRK1 P04629 2/20 0.52
▸ PRKCG P05129 2/20 0.52
▸ INSR P06213 2/20 0.52
▸ LCK P06239 2/20 0.52
▸ FYN P06241 2/20 0.52

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
SCHEMBL1474794 0.88 SYK (0.67) SYKEGFRBTKITKJAK2
SCHEMBL4199946 0.86 SYK (0.50) SYKEGFRBTKITKJAK2
SCHEMBL1476160 0.84 SYK (0.62) SYKEGFRBTKITKJAK2
SCHEMBL5130100 0.84 SYK (0.46) SYKEGFRBTKITKJAK3
SCHEMBL1197542 0.83 EGFR (0.67) SYKEGFRBTKITKJAK2
SCHEMBL1275642 0.83 SYK (0.72) SYKEGFRBTKITKJAK2
SCHEMBL1474887 0.82 SYK (0.56) SYKEGFRBTKITKJAK2
SCHEMBL1474827 0.82 SYK (0.59) SYKEGFRBTKITKJAK2
SCHEMBL1475281 0.81 SYK (0.55) SYKEGFRBTKITKJAK2
SCHEMBL4970415 0.81 AURKA (0.55) SYKEGFRBTKITKJAK2

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
US-8193197-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-06-05 — — 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 42/4885EGFR 402/4885BTK 9/4885
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 SYK 42/4885EGFR 402/4885BTK 9/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 SYK 162/4885EGFR 1582/4885BTK 27/4885

“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.

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