SCHEMBL4473977

SCHEMBL4473977

COc1cc(Nc2ncc(F)c(N)n2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.70
AURKA O14965 2/20 0.70
AURKB Q96GD4 2/20 0.70
SYK P43405 3/20 0.56
PTK2 Q05397 4/20 0.52
EGFR P00533 2/20 0.51
ITK Q08881 1/20 0.51
PLK1 P53350 1/20 0.50
DHFR P00374 1/20 0.50
IGF1R P08069 2/20 0.48
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
LCK P06239 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCH P24723 1/20 0.48
PRKCI P41743 1/20 0.48
ZAP70 P43403 1/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48

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
SCHEMBL29430427 1.00 KDR (0.70) KDRAURKAAURKBSYKPTK2
SCHEMBL656977 0.84 SYK (0.69) KDRAURKAAURKBSYKPTK2
SCHEMBL29355254 0.83 SYK (0.54) KDRAURKAAURKBSYKIGF1R
SCHEMBL12726126 0.82 SYK (0.70) KDRAURKAAURKBSYKPTK2
SCHEMBL4486021 0.82 PTK2 (0.50) KDRAURKAAURKBSYKPTK2
SCHEMBL29430454 0.82 PTK2 (0.50) KDRAURKAAURKBSYKPTK2
SCHEMBL12726123 0.80 SYK (0.74) KDRAURKAAURKBSYKPTK2
SCHEMBL15790826 0.80 SYK (0.51) KDRAURKAAURKBSYK
SCHEMBL29727518 0.79 AURKA (0.58) KDRAURKAAURKBSYKPTK2
SCHEMBL29352285 0.79 BCL6 (0.61) SYKPTK2EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 US claimed
US-12263180-B2 Method for treatment of COVID-19-associated conditions RIGEL PHARMACEUTICALS, INC. (US) 2025-04-01 US disclosed
WO-2024182776-A1 USE OF A SYK INHIBITOR FOR THE TREATMENT OF SICKLE CELL DISEASE RIGEL PHARMACEUTICALS, INC. (US) 2024-09-06 WO disclosed
WO-2024182775-A1 USE OF A SYK INHIBITOR FOR THE TREATMENT OF CHEMICAL OR RADIATION INDUCED LUNG INJURY RIGEL PHARMACEUTICALS, INC. (US) 2024-09-06 WO disclosed
EP-4013420-B1 METHOD OF BLOCKING OR AMELIORATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS INC (US) 2023-11-01 EP 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 (8 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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR KDR 4163/4885AURKA 4195/4885AURKB 2786/4885
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR KDR 4163/4885AURKA 4195/4885AURKB 2786/4885
US-12263180-B2 Method for treatment of COVID-19-associated conditions REN, JAK1, JAK2 KDR 583/4885AURKA 964/4885AURKB 1295/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR KDR 4163/4885AURKA 4195/4885AURKB 2786/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR KDR 4163/4885AURKA 4195/4885AURKB 2786/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT KDR 3744/4885AURKA 4287/4885AURKB 2997/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT KDR 3744/4885AURKA 4287/4885AURKB 2997/4885
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 KDR 1438/4885AURKA 3233/4885AURKB 2367/4885

“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.