Sugi Predict

Sugi Predict / Compounds / SCHEMBL656244

SCHEMBL656244

SCHEMBL656244

CNC(=O)C=C1C=CC=C(Nc2ncc(F)c(Nc3cccc([N+](=O)[O-])c3)n2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.45
▸ ITK Q08881 10/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ BTK Q06187 3/20 0.43
▸ SYK P43405 3/20 0.42
▸ AURKA O14965 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ TEC P42680 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ BMX P51813 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CD69 Q07108 1/20 0.41

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
SCHEMBL656581 0.86 EGFR (0.49) EGFRITKBTKSYKAURKA
SCHEMBL3838652 0.85 SYK (0.49) EGFRITKBTKSYK
SCHEMBL657968 0.85 EGFR (0.50) EGFRITKCCNT1CCNE1CDK2
SCHEMBL3834043 0.83 EGFR (0.62) EGFRITKBTKSYK
SCHEMBL656118 0.81 EGFR (0.47) EGFRITKBTKSYKAURKA
SCHEMBL3835798 0.81 EGFR (0.42) EGFRITKBTKSYKAURKA
SCHEMBL657554 0.80 SYK (0.50) EGFRITKSYKAURKA
SCHEMBL656709 0.78 EGFR (0.44) EGFRITKCDK2BTKSYK
SCHEMBL657135 0.78 SYK (0.53) EGFRITKCDK2BTKSYK
SCHEMBL3833594 0.77 EGFR (0.39) EGFRITKCDK2BTKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 — — US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 — — 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-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 — — US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 — — US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 — — US disclosed
US-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 — — US disclosed
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2017-08-31 — — US disclosed
US-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 — — 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
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-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 — — US 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 (14 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-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT EGFR 1288/4885ITK 1796/4885CCNT1 3177/4885
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A EGFR 473/4885ITK 1304/4885CCNT1 4298/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A EGFR 620/4885ITK 1303/4885CCNT1 4619/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A EGFR 903/4885ITK 911/4885CCNT1 3940/4885
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 EGFR 1363/4885ITK 991/4885CCNT1 4324/4885

“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.