SCHEMBL2103919

SCHEMBL2103919

COc1c(Cl)cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)(C)O4)n2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.66
JAK1 P23458 3/20 0.61
JAK3 P52333 3/20 0.61
AURKA O14965 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
TYRO3 Q06418 2/20 0.61
JAK2 O60674 2/20 0.61
EGFR P00533 2/20 0.61
LCK P06239 2/20 0.61
LYN P07948 2/20 0.61
FGFR4 P22455 2/20 0.61
PLK4 O00444 2/20 0.61
STK16 O75716 2/20 0.61
RET P07949 2/20 0.61
FLT3 P36888 2/20 0.61
MAPK8 P45983 2/20 0.61
MAPK9 P45984 2/20 0.61
MST1R Q04912 2/20 0.61
PTK2 Q05397 2/20 0.61
TNK1 Q13470 2/20 0.61

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
SCHEMBL2102943 0.95 SYK (0.62) SYKJAK1JAK3AURKAADORA3
SCHEMBL2102713 0.91 SYK (0.66) SYKJAK1JAK3AURKAADORA3
SCHEMBL2103358 0.91 SYK (0.62) SYKJAK1JAK3AURKAADORA3
SCHEMBL14837327 0.90 SYK (0.74) SYKJAK1JAK3AURKAADORA3
SCHEMBL2103283 0.90 SYK (0.71) SYKJAK1JAK3AURKAADORA3
SCHEMBL2103529 0.90 SYK (0.68) SYKJAK1JAK3AURKAADORA3
SCHEMBL2103278 0.89 SYK (0.69) SYKJAK1JAK3AURKAADORA3
SCHEMBL2103557 0.88 SYK (0.71) SYKJAK1JAK3AURKAADORA3
Hydrochloric Acid SCHEMBL2100858 0.88 SYK (0.68) SYKJAK1JAK3AURKAADORA3
SCHEMBL2103470 0.87 SYK (0.69) SYKJAK1JAK3AURKAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120230984-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-09-13 US claimed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
EP-2130541-A2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds Rigel Pharmaceuticals, Inc. (US) 2009-12-09 EP claimed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US claimed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US 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 (1 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-20120230984-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT SYK 2199/4885JAK1 1433/4885JAK3 1034/4885

“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.