SCHEMBL2104069

SCHEMBL2104069

COc1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)n2)cc1Cl.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.47
BCL6 P41182 9/20 0.46
NCOR2 Q9Y618 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
TYRO3 Q06418 1/20 0.43
EGFR P00533 3/20 0.42
JAK2 O60674 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
FGFR4 P22455 1/20 0.40
PTK2 Q05397 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL2100735 0.89 BCL6 (0.56) SYKBCL6NCOR2EGFR
SCHEMBL2103320 0.89 BCL6 (0.56) SYKBCL6NCOR2EGFR
SCHEMBL2104067 0.89 BCL6 (0.48) SYKBCL6NCOR2ADORA3TYRO3
SCHEMBL12389610 0.83 BCL6 (0.46) SYKBCL6NCOR2ADORA3TYRO3
SCHEMBL12389606 0.83 BCL6 (0.46) SYKBCL6NCOR2ADORA3TYRO3
SCHEMBL12389609 0.82 BCL6 (0.48) SYKBCL6NCOR2ADORA3TYRO3
SCHEMBL2100867 0.82 SYK (0.47) SYKBCL6NCOR2ADORA3TYRO3
SCHEMBL2101181 0.82 SYK (0.47) SYKBCL6NCOR2ADORA3TYRO3
SCHEMBL2103803 0.80 SYK (0.55) SYKEGFRJAK2LCKLYN
SCHEMBL2103074 0.79 BCL6 (0.58) SYKBCL6NCOR2EGFRJAK2

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
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

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.