SCHEMBL4484684

SCHEMBL4484684

CC(C)n1ncc2ccc(-c3cnc(N)nc3N)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.52
PIK3CD O00329 2/20 0.43
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
PTPN11 Q06124 1/20 0.35
FGFR1 P11362 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
SCHEMBL29430452 1.00 DHFR (0.52) DHFRPIK3CDCDK8CDK19ADORA2A
SCHEMBL4463726 0.90 DHFR (0.52) DHFRCDK8CDK19ADORA2AADORA1
SCHEMBL29430406 0.90 DHFR (0.52) DHFRCDK8CDK19ADORA2AADORA1
SCHEMBL3838310 0.82 DHFR (0.56) DHFRCDK8CDK19ADORA2AADORA1
Hydrochloric Acid SCHEMBL4473311 0.81 DHFR (0.55) DHFRCDK8ADORA2AADORA1IRAK4
SCHEMBL19966562 0.80 IRAK4 (0.39) PIK3CDIRAK4PIK3CAMTORRICTOR
SCHEMBL4480079 0.77 DHFR (0.50) DHFRPIK3CDADORA2AADORA1IRAK4
SCHEMBL4477257 0.74 DHFR (0.48) DHFRADORA1FGFR1
SCHEMBL29430376 0.74 DHFR (0.48) DHFRADORA1FGFR1
SCHEMBL12612181 0.74 DHFR (0.56) DHFRADORA2AADORA1

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 DHFR 121/4885PIK3CD 4285/4885CDK8 1570/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR DHFR 121/4885PIK3CD 4285/4885CDK8 1570/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR DHFR 121/4885PIK3CD 4285/4885CDK8 1570/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT DHFR 321/4885PIK3CD 4371/4885CDK8 1122/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT DHFR 321/4885PIK3CD 4371/4885CDK8 1122/4885
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 DHFR 676/4885PIK3CD 4520/4885CDK8 572/4885

“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.