SCHEMBL654327

SCHEMBL654327

Nc1ncc(F)c(N(c2cccc(OCCO)c2)c2cccc(OCCO)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.49
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
DHFR P00374 8/20 0.37
RPS6KA3 P51812 1/20 0.37
BTK Q06187 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
PRKCD Q05655 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL27612608 0.81 SYK (0.45) SYKALDH1A1
SCHEMBL655132 0.78 SYK (0.57) SYKDHFRRPS6KA3ALDH1A1
SCHEMBL4801395 0.78 SYK (0.76) SYKALOX5APFEN1DHFRRPS6KA3
SCHEMBL4801741 0.76 SYK (0.57) SYKEGFRDHFRRPS6KA3RECQL
SCHEMBL4805600 0.76 SYK (0.57) SYKEGFRDHFR
SCHEMBL4802062 0.76 SYK (0.57) SYKDHFRROCK1
SCHEMBL4801168 0.74 SYK (0.54) SYKALOX5APFEN1ALDH1A1
SCHEMBL27613050 0.73 SYK (0.46) SYKALOX5APFEN1
SCHEMBL27612623 0.73 SYK (0.53) SYKDHFRRPS6KA3
SCHEMBL27631855 0.72 DHFR (0.40) SYKDHFR

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-20170081290-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2017-03-23 US disclosed
US-9133133-B2 2,4-pyridinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
US-20150126504-A1 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2015-05-07 US disclosed
US-9018204-B1 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
US-20150005297-A1 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2015-01-01 US disclosed
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO 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 (13 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-20150005297-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT SYK 251/4885EGFR 1288/4885ITK 1796/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20150126504-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A SYK 2/4885EGFR 649/4885ITK 141/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A SYK 83/4885EGFR 620/4885ITK 1303/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20170081290-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885EGFR 903/4885ITK 911/4885
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine HRH4, FCER2, HRH2 SYK 78/4885EGFR 279/4885ITK 1008/4885
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade SYK, FCER2, FCGR1A SYK 1/4885EGFR 521/4885ITK 642/4885

“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.