SCHEMBL1384407

SCHEMBL1384407

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)CO4)n2)cc(O)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.68
EGFR P00533 4/20 0.52
ITK Q08881 3/20 0.52
JAK1 P23458 2/20 0.52
JAK3 P52333 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TYRO3 Q06418 2/20 0.52
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
STK16 O75716 2/20 0.52
RET P07949 2/20 0.52
FLT3 P36888 2/20 0.52
MAPK8 P45983 2/20 0.52
MAPK9 P45984 2/20 0.52
MST1R Q04912 2/20 0.52
PTK2 Q05397 2/20 0.52
TNK1 Q13470 2/20 0.52
IKBKE Q14164 2/20 0.52
MAP3K11 Q16584 2/20 0.52
ADCK1 Q86TW2 2/20 0.52

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
SCHEMBL13007745 0.86 SYK (0.54) SYKEGFRITKJAK1JAK3
SCHEMBL1380946 0.85 SYK (0.67) SYKEGFRITKJAK1JAK3
SCHEMBL1384343 0.85 SYK (0.61) SYKEGFRITKJAK1JAK3
SCHEMBL14607335 0.85 SYK (0.67) SYKJAK1JAK3
SCHEMBL1382932 0.84 SYK (0.53) SYKEGFRITKJAK1JAK3
SCHEMBL190333 0.84 SYK (0.49) SYKEGFRITKJAK1JAK3
SCHEMBL656578 0.81 SYK (1.00) SYKJAK1JAK3AURKAMAPK8
SCHEMBL30009889 0.81 SYK (1.00) SYKJAK1JAK3AURKAMAPK8
SCHEMBL656760 0.81 SYK (1.00) SYKJAK1JAK3AURKAMAPK8
SCHEMBL30009410 0.81 SYK (1.00) SYKJAK1JAK3AURKAMAPK8

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984357-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS INC (US) 2013-10-02 EP claimed
JP-4653842-B2 2011-03-16 JP claimed
US-7659280-B2 2,4-pyrimidinediamine compounds for treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2010-02-09 US claimed
JP-2009527496-A 2009-07-30 JP claimed
EP-1984357-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES Rigel Pharmaceuticals, Inc. (US) 2008-10-29 EP claimed
WO-2007120980-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2007-10-25 WO claimed
US-20070197782-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. 2007-08-23 US claimed
EP-1984357-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
EP-1984357-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
US-8314093-B2 2,4-pyrimidinediamine compounds for treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8314093-B2 2,4-pyrimidinediamine compounds for treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8314093-B2 2,4-pyrimidinediamine compounds for treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20100152172-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-7659280-B2 2,4-pyrimidinediamine compounds for treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
EP-1984357-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES Rigel Pharmaceuticals, Inc. (US) 2008-10-29 EP disclosed
WO-2007120980-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
WO-2007120980-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
US-20070197782-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197782-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197782-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. 2007-08-23 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 (2 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-20070197782-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES TPMT, SSB, HLA-DRB1 SYK 1651/4885EGFR 4464/4885ITK 3067/4885
US-20100152172-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES TPMT, SSB, HLA-DRB1 SYK 1651/4885EGFR 4464/4885ITK 3067/4885

“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.