SCHEMBL4473746

SCHEMBL4473746

Nc1ccnc(Nc2ccc(-c3ncco3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.57
SCN5A Q14524 10/20 0.51
KCNH2 Q12809 9/20 0.51
IKBKB O14920 1/20 0.41
LTA4H P09960 1/20 0.41
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
AURKA O14965 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL4477549 0.83 SYK (0.48) SCN9ASCN5APIK3CG
SCHEMBL4469955 0.80 AURKA (0.41) SCN9ASCN5AKCNH2IKBKBLTA4H
SCHEMBL29430397 0.80 AURKA (0.41) SCN9ASCN5AKCNH2IKBKBLTA4H
SCHEMBL29430371 0.80 SYK (0.48) SCN9ASCN5AKCNH2LTA4HAURKA
SCHEMBL4478293 0.80 SYK (0.48) SCN9ASCN5AKCNH2LTA4HAURKA
SCHEMBL23780649 0.77 SCN9A (0.72) SCN9ASCN5AKCNH2IKBKBAURKA
SCHEMBL4488132 0.76 SCN9A (0.54) SCN9ASCN5AKCNH2LMNA
SCHEMBL18594621 0.74 SCN9A (0.67) SCN9ASCN5AKCNH2IKBKBAURKA
SCHEMBL10177401 0.74 SCN9A (0.84) SCN9ASCN5AKCNH2IKBKBMEN1
SCHEMBL722557 0.73 LTA4H (0.64) KCNH2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-7582648-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2008-12-18 US disclosed
US-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 SCN9A 4198/4885SCN5A 3300/4885KCNH2 2596/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR SCN9A 4135/4885SCN5A 2862/4885KCNH2 2343/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR SCN9A 4198/4885SCN5A 3300/4885KCNH2 2596/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR SCN9A 4198/4885SCN5A 3300/4885KCNH2 2596/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT SCN9A 4443/4885SCN5A 3969/4885KCNH2 3065/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT SCN9A 4443/4885SCN5A 3969/4885KCNH2 3065/4885
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 SCN9A 3362/4885SCN5A 2760/4885KCNH2 1383/4885

“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.