SCHEMBL1383686

SCHEMBL1383686

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(O)c1OC

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.89
AURKA O14965 3/20 0.89
EGFR P00533 3/20 0.89
ADORA3 P0DMS8 2/20 0.89
TYRO3 Q06418 2/20 0.89
PLK4 O00444 2/20 0.89
STK16 O75716 2/20 0.89
RET P07949 2/20 0.89
FLT3 P36888 2/20 0.89
MAPK8 P45983 2/20 0.89
MAPK9 P45984 2/20 0.89
MST1R Q04912 2/20 0.89
PTK2 Q05397 2/20 0.89
TNK1 Q13470 2/20 0.89
IKBKE Q14164 2/20 0.89
MAP3K11 Q16584 2/20 0.89
ADCK1 Q86TW2 2/20 0.89
PIP4K2C Q8TBX8 2/20 0.89
NEK9 Q8TD19 2/20 0.89
AURKB Q96GD4 2/20 0.89

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
R-406 SCHEMBL29358236 0.94 SYK (1.00) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL1200144 0.94 SYK (1.00) SYKAURKAEGFRADORA3TYRO3
SCHEMBL2627469 0.91 SYK (0.91) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL12903997 0.91 SYK (0.92) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL12903982 0.90 SYK (0.91) SYKAURKAEGFRADORA3TYRO3
SCHEMBL11937326 0.89 SYK (0.87) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL12904000 0.89 SYK (0.89) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL30530501 0.87 ADORA3 (1.00) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL1222514 0.87 ADORA3 (1.00) SYKAURKAEGFRADORA3TYRO3
R-406 SCHEMBL12903973 0.87 SYK (0.86) SYKAURKAEGFRADORA3TYRO3

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 30 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
US-8314093-B2 2,4-pyrimidinediamine compounds for treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US claimed
JP-4653842-B2 2011-03-16 JP claimed
US-20100152172-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES RIGEL PHARMACEUTICALS, INC. 2010-06-17 US 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
US-20090012045-A1 Methods of Treating Cell Proliferative Disorders RIGEL PHARMACEUTICALS, INC. (US) 2009-01-08 US 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
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 (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-20070197782-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES TPMT, SSB, HLA-DRB1 SYK 1651/4885AURKA 3706/4885EGFR 4464/4885
US-20100152172-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES TPMT, SSB, HLA-DRB1 SYK 1651/4885AURKA 3706/4885EGFR 4464/4885
US-20090012045-A1 Methods of Treating Cell Proliferative Disorders MKI67, RET, HRAS SYK 3090/4885AURKA 1136/4885EGFR 524/4885

“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.