Sugi Predict

Sugi Predict / Compounds / SCHEMBL656216

SCHEMBL656216

SCHEMBL656216

COc1cc(C(=O)ONS(=O)(=O)C(=O)c2ccccc2C)ccc1Cn1ncc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ MAPT P10636 6/20 0.37
▸ PLA2G4A P47712 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL657397 0.94 SERPINE1 (0.39) NPC1CYSLTR2CYSLTR1MAPTPLA2G4A
SCHEMBL657405 0.88 CYSLTR2 (0.44) NPC1CYSLTR2CYSLTR1MAPTPLA2G4A
SCHEMBL657417 0.88 CYSLTR2 (0.44) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL656258 0.84 HSP90AB1 (0.40) CYSLTR2CYSLTR1PLA2G4A
SCHEMBL655748 0.83 NPC1 (0.49) NPC1CYSLTR2CYSLTR1MAPTPLA2G4A
SCHEMBL1116416 0.82 PLA2G4A (0.40) CYSLTR2CYSLTR1PLA2G4ALTB4R
SCHEMBL657271 0.77 SYK (0.49) CYSLTR2CYSLTR1
SCHEMBL656851 0.76 GLS (0.48) NPC1CYSLTR2CYSLTR1MAPTPLA2G4A
SCHEMBL654215 0.76 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL659422 0.76 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 23 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-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-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-8748597-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2014-06-10 — — US disclosed
US-20140031350-A1 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2014-01-30 — — 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 NPC1 3266/4885CYSLTR2 15/4885CYSLTR1 19/4885
US-20140303154-A1 2,4-PYRIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A NPC1 3408/4885CYSLTR2 8/4885CYSLTR1 15/4885
US-20150005297-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A NPC1 3266/4885CYSLTR2 15/4885CYSLTR1 19/4885
US-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A NPC1 3266/4885CYSLTR2 15/4885CYSLTR1 19/4885
US-20150126504-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A NPC1 3266/4885CYSLTR2 15/4885CYSLTR1 19/4885
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 NPC1 2785/4885CYSLTR2 31/4885CYSLTR1 40/4885
US-20140031350-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A NPC1 3266/4885CYSLTR2 15/4885CYSLTR1 19/4885
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 NPC1 4700/4885CYSLTR2 23/4885CYSLTR1 40/4885
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A NPC1 4268/4885CYSLTR2 21/4885CYSLTR1 10/4885

“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.