SCHEMBL2103076

SCHEMBL2103076

COc1ccc(Nc2nc(Nc3ccc4cc[nH]c4c3)ncc2F)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.74
BCL6 P41182 12/20 0.65
NCOR2 Q9Y618 2/20 0.62
ULK1 O75385 1/20 0.53
STK17B O94768 1/20 0.52
STK17A Q9UEE5 1/20 0.52
EGFR P00533 1/20 0.52
CDK1 P06493 1/20 0.52

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
SCHEMBL2103092 1.00 SYK (0.74) SYKBCL6NCOR2ULK1STK17B
SCHEMBL2103798 0.88 SYK (0.58) SYKBCL6NCOR2EGFR
SCHEMBL655635 0.88 BCL6 (0.80) SYKBCL6NCOR2STK17BSTK17A
SCHEMBL2102099 0.87 SYK (0.84) SYKULK1STK17BSTK17AEGFR
SCHEMBL31294146 0.86 SYK (1.00) SYKSTK17AEGFRCDK1
SCHEMBL656396 0.86 SYK (1.00) SYKSTK17AEGFRCDK1
SCHEMBL2103881 0.86 BCL6 (0.65) SYKBCL6NCOR2STK17BSTK17A
SCHEMBL2102518 0.85 SYK (0.79) SYKULK1EGFRCDK1
SCHEMBL2102179 0.83 BCL6 (0.72) SYKBCL6NCOR2STK17BSTK17A
SCHEMBL2101082 0.83 BCL6 (0.72) SYKBCL6NCOR2STK17BSTK17A

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 2199/4885BCL6 2023/4885NCOR2 3117/4885

“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.