SCHEMBL2103770

SCHEMBL2103770

COc1ccc(Nc2nc(Nc3ccc4c(c3)CNN4C)ncc2F)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
ITK Q08881 1/20 0.53
BCL6 P41182 8/20 0.51
BRD4 O60885 2/20 0.51
SYK P43405 6/20 0.49
AURKA O14965 2/20 0.49
ULK1 O75385 1/20 0.46
ULK2 Q8IYT8 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL2100766 0.92 BCL6 (0.62) EGFRBCL6BRD4SYKAURKA
SCHEMBL2060348 0.91 SYK (0.54) EGFRITKSYKAURKA
SCHEMBL656237 0.89 SYK (0.60) EGFRBCL6BRD4SYKAURKA
SCHEMBL655161 0.87 SYK (0.50) EGFRITKBRD4SYKAURKA
SCHEMBL2101799 0.86 SYK (0.49) EGFRITKBCL6BRD4SYK
SCHEMBL656303 0.85 SYK (0.51) EGFRITKBRD4SYKAURKA
SCHEMBL2100795 0.84 BRD4 (0.52) EGFRBCL6BRD4SYKAURKA
SCHEMBL656517 0.84 BRD4 (0.50) EGFRBCL6BRD4SYKAURKA
SCHEMBL2104027 0.84 AXL (0.52) EGFRBCL6BRD4SYKAURKA
SCHEMBL2102228 0.84 BCL6 (0.62) EGFRBCL6BRD4SYKAURKA

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 8 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
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 EGFR 3376/4885ITK 3121/4885BCL6 2023/4885

“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.