SCHEMBL2745568

SCHEMBL2745568

Nc1nc(N)c(F)c(C2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
HRH2 P25021 2/20 0.47
HRH4 Q9H3N8 4/20 0.36
GHSR Q92847 3/20 0.35
DHFR P00374 2/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
MEN1 O00255 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
MTOR P42345 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
FEN1 P39748 2/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL2745264 0.98 HRH3 (0.45) HRH3HRH2HRH4GHSRDHFR
SCHEMBL2746051 0.94 HRH2 (0.41) HRH3HRH2HRH4GHSRDHFR
SCHEMBL27631803 0.90 DHFR (0.40) HRH3HRH2GHSRDHFR
SCHEMBL27941496 0.80 HRH3 (0.50) HRH3HRH2HRH4GHSRDHFR
SCHEMBL6473618 0.77 HRH2 (0.51) HRH3HRH2HRH4GHSRDHFR
SCHEMBL28458428 0.77 HRH2 (0.44) HRH3HRH2HRH4GHSRDHFR
SCHEMBL9154403 0.74 MEN1 (0.34) HRH4CCNA2CDK2CCNA1MEN1
SCHEMBL15621993 0.72 HRH2 (0.43) HRH3HRH2HRH4GHSRDHFR
SCHEMBL4468226 0.72 HRH2 (0.40) HRH3HRH2HRH4GHSRFEN1
SCHEMBL27952825 0.70 CDK2 (0.55) HRH3HRH2GHSRCCNA2CDK2

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 10 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-8178671-B2 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 RIGEL PHARMACEUTICALS, INC. (US) 2012-05-15 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 HRH3 72/4885HRH2 57/4885HRH4 64/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR HRH3 76/4885HRH2 67/4885HRH4 77/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR HRH3 72/4885HRH2 57/4885HRH4 64/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR HRH3 72/4885HRH2 57/4885HRH4 64/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT HRH3 37/4885HRH2 19/4885HRH4 18/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT HRH3 37/4885HRH2 19/4885HRH4 18/4885
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 HRH3 5/4885HRH2 6/4885HRH4 2/4885

“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.