SCHEMBL655132

SCHEMBL655132

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.57
ADORA1 P30542 2/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
BCL6 P41182 1/20 0.36
RPS6KA3 P51812 1/20 0.36
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CG P48736 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL654571 0.86 SYK (0.45) SYKADORA1DHFR
SCHEMBL4801395 0.85 SYK (0.76) SYKADORA1DHFRCYP3A4BCL6
SCHEMBL4805600 0.83 SYK (0.57) SYKDHFRBCL6
SCHEMBL4801741 0.83 SYK (0.57) SYKADORA1DHFRTSHRBCL6
SCHEMBL4802062 0.83 SYK (0.57) SYKADORA1DHFRBCL6KMT2A
SCHEMBL4801168 0.82 SYK (0.54) SYKADORA1ALDH1A1CYP3A4TSHR
SCHEMBL27612623 0.80 SYK (0.53) SYKDHFRBCL6RPS6KA3ADORA2A
SCHEMBL654327 0.78 SYK (0.49) SYKDHFRALDH1A1RPS6KA3
SCHEMBL27631778 0.77 SYK (0.50) SYKBCL6RPS6KA3TDP1
SCHEMBL4798557 0.75 SYK (0.48) SYKDHFRALDH1A1BCL6RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
CN-110404062-A Immunomodulator and application thereof UNIV QUEENSLAND 2019-11-05 CN 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-20140330007-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140303154-A1 2,4-PYRIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2014-10-09 US disclosed
US-20130317216-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES MIDCAP FINANCIAL TRUST 2013-11-28 US disclosed
US-8334296-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-12-18 US disclosed
US-7498435-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7485724-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-02-03 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-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES 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
EP-1786783-A1 SYNTHESIS OF 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2007-05-23 EP disclosed
WO-2006028833-A1 SYNTHESIS OF 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2006-03-16 WO 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 (11 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-20140303154-A1 2,4-PYRIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 38/4885ADORA1 196/4885DHFR 947/4885
US-20150005297-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
US-20130317216-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
US-20150126504-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A SYK 2/4885ADORA1 196/4885DHFR 943/4885
US-20140330007-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SYK 54/4885ADORA1 77/4885DHFR 233/4885
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 78/4885ADORA1 175/4885DHFR 578/4885
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 1/4885ADORA1 817/4885DHFR 1523/4885

“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.