SCHEMBL1116423

SCHEMBL1116423

CC#CNc1nc(Nc2ccc3[nH]ncc3c2)ncc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.62
▸ FGFR1 P11362 4/20 0.52
▸ MKNK1 Q9BUB5 2/20 0.51
▸ KDR P35968 7/20 0.51
▸ WEE1 P30291 5/20 0.51
▸ ALK Q9UM73 5/20 0.51
▸ PTK2 Q05397 4/20 0.51
▸ AURKA O14965 3/20 0.51
▸ DAPK3 O43293 3/20 0.51
▸ JAK2 O60674 3/20 0.51
▸ PRKD3 O94806 3/20 0.51
▸ MAP4K4 O95819 3/20 0.51
▸ PAK4 O96013 3/20 0.51
▸ LCK P06239 3/20 0.51
▸ FYN P06241 3/20 0.51
▸ CSF1R P07333 3/20 0.51
▸ RET P07949 3/20 0.51
▸ IGF1R P08069 3/20 0.51
▸ PDGFRA P16234 3/20 0.51
▸ PRKACA P17612 3/20 0.51

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
SCHEMBL4020341 0.83 CDK1 (0.63) EGFRFGFR1MKNK1KDRWEE1
Ammonia Solution, Strong SCHEMBL5948365 0.81 EGFR (0.55) EGFRFGFR1MKNK1KDRWEE1
SCHEMBL13648435 0.78 EGFR (0.55) EGFRFGFR1MKNK1KDRWEE1
SCHEMBL3759654 0.77 EGFR (0.83) EGFRFGFR1KDRWEE1ALK
SCHEMBL5174148 0.77 EGFR (0.53) EGFRFGFR1MKNK1KDRWEE1
SCHEMBL4025841 0.77 EGFR (0.53) EGFRFGFR1MKNK1KDRWEE1
SCHEMBL1973780 0.76 SYK (0.77) MKNK1KDRAURKAROCK1SYK
SCHEMBL6212988 0.76 PTK2 (0.75) EGFRFGFR1MKNK1KDRPTK2
SCHEMBL6210226 0.74 PTK2 (0.61) EGFRFGFR1KDRPTK2PAK4
SCHEMBL12749859 0.74 WEE1 (0.67) EGFRFGFR1KDRWEE1ALK

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658477-B2 — — 2011-03-23 — — JP claimed
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2008-02-14 — — US claimed
US-20070293521-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 claimed
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 claimed
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 — — US claimed
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 claimed
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 claimed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 — — US claimed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 — — US claimed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 — — EP claimed
JP-2005516046-A — — 2005-06-02 — — JP claimed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 — — EP claimed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 — — US claimed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 — — WO claimed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 — — EP 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 (9 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-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis FCER2, FCGR1A, HRH4 EGFR 872/4885FGFR1 198/4885MKNK1 1868/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A EGFR 903/4885FGFR1 1801/4885MKNK1 1678/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT EGFR 1288/4885FGFR1 3959/4885MKNK1 2734/4885
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors FCER2, FCGR1A, FCGR2A EGFR 276/4885FGFR1 229/4885MKNK1 1272/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A EGFR 649/4885FGFR1 1071/4885MKNK1 1565/4885
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A EGFR 903/4885FGFR1 1801/4885MKNK1 1678/4885
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 EGFR 279/4885FGFR1 998/4885MKNK1 2616/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A EGFR 649/4885FGFR1 1071/4885MKNK1 1565/4885
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 EGFR 521/4885FGFR1 497/4885MKNK1 1628/4885

“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.

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