SCHEMBL4476945

SCHEMBL4476945

COc1cc(Nc2nccc(N)n2)cc(OC)c1OC.[H+]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.60
CDK2 P24941 4/20 0.60
EGFR P00533 2/20 0.60
JAK2 O60674 1/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
PTK2B Q14289 1/20 0.60
PRKD3 O94806 1/20 0.58
PRKCG P05129 1/20 0.58
PRKCB P05771 1/20 0.58
LCK P06239 1/20 0.58
PRKCA P17252 1/20 0.58
PRKCH P24723 1/20 0.58
PRKCI P41743 1/20 0.58
ZAP70 P43403 1/20 0.58
PRKCE Q02156 1/20 0.58
PRKCQ Q04759 1/20 0.58
PRKCZ Q05513 1/20 0.58
PRKCD Q05655 1/20 0.58

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
SCHEMBL4470281 0.99 IGF1R (0.61) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL14088802 0.82 IGF1R (0.62) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL1116462 0.82 IGF1R (0.79) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL1131578 0.81 CDK2 (0.68) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL6978791 0.81 CDK2 (0.64) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL6977451 0.80 CDK2 (0.78) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL31180291 0.80 IGF1R (0.71) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL6980935 0.80 IGF1R (0.60) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL6979315 0.80 CDK2 (0.79) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL20977356 0.80 SCN9A (0.46) IGF1RCDK2EGFRJAK2PIK3CA

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 IGF1R 4680/4885CDK2 953/4885EGFR 4568/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR IGF1R 4680/4885CDK2 953/4885EGFR 4568/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR IGF1R 4680/4885CDK2 953/4885EGFR 4568/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT IGF1R 3818/4885CDK2 1019/4885EGFR 3376/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT IGF1R 3818/4885CDK2 1019/4885EGFR 3376/4885
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 IGF1R 1626/4885CDK2 174/4885EGFR 2079/4885

“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.