SCHEMBL4479738

SCHEMBL4479738

CN1CCN(c2cccc(Nc3nccc(N)n3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.60
FLT3 P36888 4/20 0.60
CDK1 P06493 3/20 0.60
CCNB1 P14635 3/20 0.60
CDK7 P50613 3/20 0.60
CCNH P51946 3/20 0.60
CCNE1 P24864 2/20 0.60
MNAT1 P51948 1/20 0.60
JAK2 O60674 4/20 0.58
JAK3 P52333 3/20 0.58
EGFR P00533 1/20 0.58
PLK4 O00444 2/20 0.55
CHEK1 O14757 1/20 0.55
PRKD3 O94806 1/20 0.55
LCK P06239 1/20 0.55
CSF1R P07333 1/20 0.55
ROS1 P08922 1/20 0.55
KIT P10721 1/20 0.55
FGFR1 P11362 1/20 0.55
SRC P12931 1/20 0.55

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
SCHEMBL7467387 0.87 CDK2 (0.64) CDK2FLT3CDK1CCNB1CDK7
SCHEMBL4463575 0.85 PLK4 (0.69) CDK2CDK1CCNE1JAK2JAK3
SCHEMBL30306480 0.85 EGFR (0.60) CDK2FLT3CCNE1JAK2JAK3
SCHEMBL3120382 0.80 CDK2 (0.68) CDK2CDK1CCNB1CDK7CCNH
SCHEMBL5104441 0.78 GAA (0.55) CDK2FLT3CDK1CCNB1CDK7
SCHEMBL14100244 0.77 CDK2 (0.59) CDK2FLT3CDK1CCNB1CDK7
SCHEMBL29368254 0.77 MAP4K1 (0.60) CDK2FLT3CDK1CCNB1CDK7
SCHEMBL4482243 0.77 MKNK1 (0.45) CDK2FLT3CDK1CCNB1CDK7
SCHEMBL34463169 0.77 JAK2 (0.65) CDK2FLT3CDK1CCNB1CDK7
SCHEMBL5090939 0.77 FLT3 (0.60) CDK2FLT3CDK1CCNB1CDK7

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 CDK2 953/4885FLT3 3179/4885CDK1 2316/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR CDK2 1030/4885FLT3 3116/4885CDK1 2435/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR CDK2 953/4885FLT3 3179/4885CDK1 2316/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR CDK2 953/4885FLT3 3179/4885CDK1 2316/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT CDK2 1019/4885FLT3 730/4885CDK1 1309/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT CDK2 1019/4885FLT3 730/4885CDK1 1309/4885
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 CDK2 174/4885FLT3 426/4885CDK1 200/4885

“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.