SCHEMBL2103527

SCHEMBL2103527

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)N(C)NC4)n2)c(OC)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 12/20 0.55
BRD4 O60885 5/20 0.51
NCOR2 Q9Y618 2/20 0.49
EGFR P00533 1/20 0.45
MAP4K1 Q92918 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL2102228 0.90 BCL6 (0.62) BCL6BRD4NCOR2EGFRSYK
SCHEMBL2101799 0.86 SYK (0.49) BCL6BRD4EGFRSYK
SCHEMBL2103359 0.84 AXL (0.52) BCL6BRD4EGFRSYK
SCHEMBL2103924 0.84 BRD4 (0.48) BCL6BRD4EGFRSYK
SCHEMBL2100766 0.83 BCL6 (0.62) BCL6BRD4NCOR2EGFRSYK
SCHEMBL12439249 0.82 BCL6 (0.71) BCL6BRD4NCOR2EGFRSYK
SCHEMBL2103762 0.82 BCL6 (0.48) BCL6BRD4NCOR2EGFRSYK
SCHEMBL2100819 0.82 SYK (0.60) BCL6BRD4EGFRSYK
SCHEMBL2101401 0.80 SYK (0.50) EGFRSYK
SCHEMBL2103212 0.79 BCL6 (0.46) BCL6BRD4NCOR2EGFRSYK

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 7 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

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 BCL6 2023/4885BRD4 539/4885NCOR2 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.