SCHEMBL2102943

SCHEMBL2102943

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.62
JAK1 P23458 4/20 0.58
JAK3 P52333 4/20 0.58
JAK2 O60674 3/20 0.58
ADORA3 P0DMS8 2/20 0.58
TYRO3 Q06418 2/20 0.58
EGFR P00533 2/20 0.58
LCK P06239 2/20 0.58
LYN P07948 2/20 0.58
FGFR4 P22455 2/20 0.58
PLK4 O00444 2/20 0.58
AURKA O14965 2/20 0.58
STK16 O75716 2/20 0.58
RET P07949 2/20 0.58
FLT3 P36888 2/20 0.58
MAPK8 P45983 2/20 0.58
MAPK9 P45984 2/20 0.58
MST1R Q04912 2/20 0.58
PTK2 Q05397 2/20 0.58
TNK1 Q13470 2/20 0.58

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
SCHEMBL2103919 0.95 SYK (0.66) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2103470 0.89 SYK (0.69) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2102599 0.89 SYK (0.64) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2102713 0.88 SYK (0.66) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2103190 0.88 SYK (0.72) SYKJAK1JAK3JAK2ADORA3
SCHEMBL14837327 0.88 SYK (0.74) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2103283 0.87 SYK (0.71) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2103358 0.87 SYK (0.62) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2103529 0.87 SYK (0.68) SYKJAK1JAK3JAK2ADORA3
SCHEMBL2103278 0.86 SYK (0.69) SYKJAK1JAK3JAK2ADORA3

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 10 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-1534286-B1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS INC (US) 2009-12-09 EP 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.