SCHEMBL2102889

SCHEMBL2102889

Fc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)ncc2F)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.67
KDR P35968 5/20 0.56
CDC7 O00311 1/20 0.56
ROCK1 Q13464 6/20 0.56
AURKA O14965 2/20 0.56
DAPK3 O43293 2/20 0.56
JAK2 O60674 2/20 0.56
PRKD3 O94806 2/20 0.56
MAP4K4 O95819 2/20 0.56
PAK4 O96013 2/20 0.56
NTRK1 P04629 2/20 0.56
LCK P06239 2/20 0.56
FYN P06241 2/20 0.56
CSF1R P07333 2/20 0.56
RET P07949 2/20 0.56
IGF1R P08069 2/20 0.56
MET P08581 2/20 0.56
FGFR1 P11362 2/20 0.56
PDGFRA P16234 2/20 0.56
PRKACA P17612 2/20 0.56

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
SCHEMBL657477 0.93 SYK (0.67) SYKKDRCDC7ROCK1AURKA
SCHEMBL657771 0.92 SYK (0.69) SYKKDRCDC7ROCK1AURKA
SCHEMBL1973780 0.92 SYK (0.77) SYKKDRCDC7ROCK1AURKA
SCHEMBL2104626 0.91 SYK (0.67) SYKKDRCDC7ROCK1AURKA
SCHEMBL2103983 0.91 SYK (0.70) SYKCDC7AURKAFGFR1PDGFRA
SCHEMBL657728 0.88 SYK (0.66) SYKKDRCDC7ROCK1AURKA
SCHEMBL2103083 0.87 BCL6 (0.65) SYKKDRROCK1AURKADAPK3
SCHEMBL658234 0.87 SYK (0.74) SYKKDRCDC7ROCK1AURKA
SCHEMBL656032 0.87 SYK (0.72) SYKKDRAURKAJAK2PRKD3
SCHEMBL656273 0.86 SYK (0.59) SYKKDRCDC7ROCK1AURKA

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-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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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 2199/4885KDR 3744/4885CDC7 3135/4885

“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.