SCHEMBL2101544

SCHEMBL2101544

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)n2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.61
AURKA O14965 5/20 0.51
JAK2 O60674 3/20 0.49
EGFR P00533 2/20 0.49
LCK P06239 2/20 0.49
LYN P07948 2/20 0.49
FGFR4 P22455 2/20 0.49
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
BMPR1B O00238 1/20 0.44
CDC7 O00311 1/20 0.44
PIK3CD O00329 1/20 0.44
PLK4 O00444 1/20 0.44
STK25 O00506 1/20 0.44
CIT O14578 1/20 0.44
RIOK3 O14730 1/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL2102368 1.00 SYK (0.61) SYKAURKAJAK2EGFRLCK
SCHEMBL2103803 0.92 SYK (0.55) SYKAURKAJAK2EGFRLCK
SCHEMBL2101181 0.89 SYK (0.47) SYKAURKAJAK2EGFRLCK
SCHEMBL2100867 0.89 SYK (0.47) SYKAURKAJAK2EGFRLCK
SCHEMBL2100735 0.87 BCL6 (0.56) SYKEGFRSTK17BSTK17A
SCHEMBL2103320 0.87 BCL6 (0.56) SYKEGFRSTK17BSTK17A
SCHEMBL2100877 0.87 SYK (0.56) SYKAURKAJAK2EGFRLCK
SCHEMBL17278002 0.86 MAOB (0.50) SYKAURKAJAK2EGFRLCK
SCHEMBL12389609 0.84 BCL6 (0.48) SYKAURKAJAK2EGFRLCK
SCHEMBL12212798 0.83 SYK (0.49) SYKAURKAJAK2EGFRLCK

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 2199/4885AURKA 4287/4885JAK2 2511/4885

“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.