Sugi Predict

Sugi Predict / Compounds / SCHEMBL657417

SCHEMBL657417

SCHEMBL657417

COc1cc(C(=O)ONS(=O)(=O)C(=O)c2ccccc2C)ccc1Cn1ncc2ccc(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.44
▸ CYSLTR1 Q9Y271 1/20 0.44
▸ NOTUM Q6P988 1/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ PLA2G4A P47712 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ AGTR2 P50052 1/20 0.32

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
SCHEMBL656258 0.94 HSP90AB1 (0.40) CYSLTR2CYSLTR1TLR7HSP90AB1PLA2G4A
SCHEMBL656216 0.88 NPC1 (0.42) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL654215 0.88 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL657397 0.84 SERPINE1 (0.39) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL16210364 0.83 HSP90AB1 (0.42) CYSLTR2CYSLTR1TLR7HSP90AB1PLA2G4A
SCHEMBL2105382 0.81 CYSLTR2 (0.46) CYSLTR2CYSLTR1TLR7HSP90AB1PLA2G4A
SCHEMBL1116422 0.81 CYSLTR2 (0.41) CYSLTR2CYSLTR1HSP90AB1
SCHEMBL657271 0.81 SYK (0.49) CYSLTR2CYSLTR1
SCHEMBL659422 0.79 SYK (0.47) CYSLTR2CYSLTR1
SCHEMBL3091493 0.79 SYK (0.47) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416112-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2016-08-16 — — US disclosed
US-9133133-B2 2,4-pyridinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-09-15 — — US disclosed
US-9040550-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-20150126504-A1 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2015-05-07 — — 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-8853397-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmacuticals, Inc. (US) 2014-10-07 — — US disclosed
US-8835430-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
US-8822685-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
US-8410266-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
US-8334296-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-12-18 — — US disclosed
US-8188276-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2012-02-23 — — US disclosed
US-7803939-B2 N2,N4-bis(4-ethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2010-09-28 — — US disclosed
US-7655797-B2 reacting a aminobenzoxazne or aminobenzothiazine or aminobenzodithiazine compounds wtih 2,4-dichloro-5-fluoropyrimidine to form 2,4-pyrimidinediamne compound; used to inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; antiinflammatory agent, antiallergen RIGEL PHARMACEUTICALS, INC. (US) 2010-02-02 — — US disclosed
US-20090171085-A1 N2,N4-bis(4-ethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2009-07-02 — — US disclosed
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. 2009-07-02 — — US disclosed
US-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-20090082567-A1 reacting a aminobenzoxazne or aminobenzothiazine or aminobenzodithiazine compounds wtih 2,4-dichloro-5-fluoropyrimidine to form 2,4-pyrimidinediamne compound; used to inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; antiinflammatory agent, antiallergen RIGEL PHARMACEUTICALS, INC. 2009-03-26 — — 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 (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-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CYSLTR2 15/4885CYSLTR1 19/4885NOTUM 2472/4885
US-20140303154-A1 2,4-PYRIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CYSLTR2 8/4885CYSLTR1 15/4885NOTUM 2766/4885
US-20150005297-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A CYSLTR2 15/4885CYSLTR1 19/4885NOTUM 2472/4885
US-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CYSLTR2 15/4885CYSLTR1 19/4885NOTUM 2472/4885
US-20150126504-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A CYSLTR2 15/4885CYSLTR1 19/4885NOTUM 2472/4885
US-20140330007-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CYSLTR2 15/4885CYSLTR1 19/4885NOTUM 2472/4885
US-20090171085-A1 N2,N4-bis(4-ethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors FCER2, FCGR1A, SYK CYSLTR2 31/4885CYSLTR1 40/4885NOTUM 2370/4885
US-20090082567-A1 reacting a aminobenzoxazne or aminobenzothiazine or aminobenzodithiazine compounds wtih 2,4-dichloro-5-fluoropyrimidine to form 2,4-pyrimidinediamne compound; used to inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; antiinflammatory agent, antiallergen HRH2, HRH1, FCER2 CYSLTR2 23/4885CYSLTR1 40/4885NOTUM 1357/4885
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A CYSLTR2 21/4885CYSLTR1 10/4885NOTUM 1808/4885

“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.