SCHEMBL2103707

SCHEMBL2103707

Fc1ccc(Nc2nc(Nc3ccc4cn[nH]c4c3)ncc2F)cc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.74
CDC7 O00311 1/20 0.59
CDK1 P06493 2/20 0.58
AURKA O14965 4/20 0.53
MAOB P27338 1/20 0.51
PDGFRB P09619 3/20 0.51
PDGFRA P16234 3/20 0.51
FGFR1 P11362 2/20 0.50
EGFR P00533 1/20 0.50
PLK4 O00444 1/20 0.50
PDPK1 O15530 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
FES P07332 1/20 0.50
CSF1R P07333 1/20 0.50

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
SCHEMBL653843 0.95 SYK (0.80) SYKCDC7CDK1AURKAPDGFRB
SCHEMBL657176 0.91 SYK (0.71) SYKCDC7CDK1AURKAPDGFRB
SCHEMBL658234 0.90 SYK (0.74) SYKCDC7CDK1AURKAKDR
SCHEMBL2103983 0.90 SYK (0.70) SYKCDC7CDK1AURKAMAOB
SCHEMBL2103547 0.90 SYK (0.70) SYKCDC7CDK1AURKAMAOB
SCHEMBL656810 0.87 SYK (0.70) SYKCDC7CDK1AURKAPDGFRB
SCHEMBL2100717 0.87 SYK (0.66) SYKCDC7CDK1AURKAPDGFRB
SCHEMBL655618 0.85 SYK (1.00) SYKAURKAMAPK8AURKB
SCHEMBL658076 0.85 SYK (1.00) SYKAURKAMAPK8AURKB
SCHEMBL1973780 0.85 SYK (0.77) SYKCDC7CDK1AURKAKDR

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 2199/4885CDC7 3135/4885CDK1 1309/4885

“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.