SCHEMBL1116404

SCHEMBL1116404

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.70
▸ DHFR P00374 5/20 0.67
▸ PIK3CG P48736 3/20 0.54
▸ PIK3CA P42336 2/20 0.54
▸ PIK3CB P42338 2/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ GFER P55789 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ADORA2A P29274 3/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ CSNK1D P48730 2/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ BRSK1 Q8TDC3 2/20 0.50
▸ SRPK1 Q96SB4 2/20 0.50
▸ CLK4 Q9HAZ1 2/20 0.50
▸ MKNK2 Q9HBH9 2/20 0.50
▸ DYRK1B Q9Y463 2/20 0.50
▸ PIK3CD O00329 1/20 0.50
▸ PIK3C2B O00750 1/20 0.50
▸ PDXK O00764 1/20 0.50

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
SCHEMBL1388358 0.83 DHFR (0.71) ADORA1DHFRADORA2AMAP4K4FGFR1
SCHEMBL30401146 0.83 DHFR (0.71) ADORA1DHFRADORA2AMAP4K4FGFR1
SCHEMBL27631899 0.81 DHFR (0.69) ADORA1DHFRADORA2AMAP2K1
SCHEMBL1388335 0.80 DHFR (0.67) ADORA1DHFRKMT2AADORA2AFGFR1
SCHEMBL1388562 0.80 DHFR (1.00) ADORA1DHFRADORA2AMAP4K4FGFR1
SCHEMBL29913330 0.80 DHFR (1.00) ADORA1DHFRADORA2AMAP4K4FGFR1
SCHEMBL1388276 0.80 ADORA1 (0.70) ADORA1DHFRADORA2AFLT3DYRK1A
SCHEMBL1388331 0.80 DHFR (0.67) ADORA1DHFRKMT2AADORA2AMAP4K4
SCHEMBL30488016 0.80 ADORA1 (0.70) ADORA1DHFRADORA2AFLT3DYRK1A
SCHEMBL27997922 0.78 DHFR (0.60) ADORA1DHFRFLT3CSNK1DDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013420-B1 METHOD OF BLOCKING OR AMELIORATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS INC (US) 2023-11-01 — — EP disclosed
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-10 — — US disclosed
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-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-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-04-16 — — US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 — — US disclosed
US-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 — — US disclosed
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-07-19 — — 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-20050234049-A1 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine MIDCAP FINANCIAL TRUST 2005-10-20 — — US 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
CN-1596246-A Preventive or therapeutic agent for Alzheimer's disease or amyloid fibril inhibitor containing nitrogen-containing heteroaromatic ring compound BTG INT LTD (GB) 2005-03-16 — — CN 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 (12 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-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR ADORA1 113/4885DHFR 121/4885PIK3CG 4032/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT ADORA1 89/4885DHFR 460/4885PIK3CG 898/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR ADORA1 115/4885DHFR 97/4885PIK3CG 3958/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A ADORA1 77/4885DHFR 233/4885PIK3CG 281/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR ADORA1 113/4885DHFR 121/4885PIK3CG 4032/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT ADORA1 372/4885DHFR 321/4885PIK3CG 4106/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ADORA1 77/4885DHFR 233/4885PIK3CG 281/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A ADORA1 78/4885DHFR 788/4885PIK3CG 561/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ADORA1 77/4885DHFR 233/4885PIK3CG 281/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A ADORA1 77/4885DHFR 233/4885PIK3CG 281/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A ADORA1 77/4885DHFR 233/4885PIK3CG 281/4885
US-20050234049-A1 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine SSB, HRH4, TLR7 ADORA1 291/4885DHFR 676/4885PIK3CG 4169/4885

“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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