SCHEMBL2745948

SCHEMBL2745948

CNc1nc(N)ncc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
P2RX3 P56373 11/20 0.41
P2RX2 Q9UBL9 11/20 0.41
NUDT1 P36639 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
SCHEMBL16011451 0.77 NUDT1 (0.42) NUDT1
SCHEMBL22448743 0.76 DHFR (0.36) DHFRP2RX3P2RX2NUDT1
SCHEMBL2745753 0.75 NUDT1 (0.58) DHFRNUDT1
SCHEMBL1319169 0.74 P2RX3 (0.54) DHFRP2RX3P2RX2
SCHEMBL30625076 0.74 P2RX3 (0.54) DHFRP2RX3P2RX2
SCHEMBL22448609 0.74 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL19364161 0.74 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL2744648 0.73 BCL6 (0.56) NUDT1
SCHEMBL20150284 0.73 JAK1 (0.46) DHFRNUDT1
SCHEMBL14994344 0.73 BCL6 (0.56) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-7560466-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-20070225495-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7122542-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2006-10-17 US disclosed
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds MIDCAP FINANCIAL TRUST 2005-09-22 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 (3 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-20070225495-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT DHFR 321/4885P2RX3 219/4885P2RX2 109/4885
US-20090318687-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT DHFR 321/4885P2RX3 219/4885P2RX2 109/4885
US-20050209224-A1 Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds SSB, TYMS, TPMT DHFR 321/4885P2RX3 219/4885P2RX2 109/4885

“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.