SCHEMBL4469955

SCHEMBL4469955

Cc1cnc(Nc2ccc(-c3ncco3)cc2)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.41
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
RAB9A P51151 3/20 0.38
SCN9A Q15858 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
NPC1 O15118 1/20 0.38
STK17A Q9UEE5 4/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
STK17B O94768 1/20 0.36
TTK P33981 1/20 0.36
SYK P43405 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL29430397 1.00 AURKA (0.41) AURKALCKKITRAB9ASCN9A
SCHEMBL4481247 0.85 SYK (0.43) AURKASYK
SCHEMBL29430418 0.85 SYK (0.43) AURKASYK
SCHEMBL4478293 0.85 SYK (0.48) AURKALCKRAB9ASCN9AKCNH2
SCHEMBL29430371 0.85 SYK (0.48) AURKALCKRAB9ASCN9AKCNH2
SCHEMBL4473746 0.80 SCN9A (0.57) AURKARAB9ASCN9AKCNH2SCN5A
SCHEMBL10187855 0.74 BCL6 (0.53) AURKALCKKITRAB9ANPC1
SCHEMBL20977564 0.74 SYK (0.56) AURKARAB9ASCN9AKCNH2SCN5A
SCHEMBL4478760 0.71 SYK (0.49) AURKASYKCDK2
SCHEMBL29430408 0.71 SYK (0.49) AURKASYKCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (6 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 AURKA 4195/4885LCK 1615/4885KIT 4395/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR AURKA 4195/4885LCK 1615/4885KIT 4395/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR AURKA 4195/4885LCK 1615/4885KIT 4395/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT AURKA 4287/4885LCK 1809/4885KIT 4094/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT AURKA 4287/4885LCK 1809/4885KIT 4094/4885
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 AURKA 3233/4885LCK 1792/4885KIT 4064/4885

“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.