SCHEMBL1382932

SCHEMBL1382932

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)CS4)n2)cc(O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.53
EGFR P00533 4/20 0.49
ITK Q08881 3/20 0.49
AURKA O14965 5/20 0.46
KDR P35968 4/20 0.46
PLK1 P53350 4/20 0.46
INSR P06213 2/20 0.46
PTK2 Q05397 2/20 0.46
AURKB Q96GD4 2/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TYRO3 Q06418 2/20 0.46
BMPR1B O00238 1/20 0.46
CDC7 O00311 1/20 0.46
PIK3CD O00329 1/20 0.46
PLK4 O00444 1/20 0.46
STK25 O00506 1/20 0.46
CIT O14578 1/20 0.46

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
SCHEMBL19297725 0.94 SYK (0.56) SYKEGFRITKAURKAKDR
SCHEMBL19297718 0.88 SYK (0.48) SYKEGFRITKAURKAPLK1
SCHEMBL1381667 0.86 SYK (0.51) SYKEGFRITKAURKAKDR
SCHEMBL19297754 0.86 BCL6 (0.58) SYKEGFRPTK2STK17BSTK17A
SCHEMBL19297722 0.86 SYK (0.57) SYKEGFRAURKAPLK1JAK2
SCHEMBL1384407 0.84 SYK (0.68) SYKEGFRITKAURKAKDR
SCHEMBL19297749 0.84 AURKA (0.52) SYKEGFRAURKACDK1PTK2B
SCHEMBL1383865 0.83 SYK (0.52) SYKEGFRITKAURKAKDR
SCHEMBL19297717 0.81 SYK (0.69) SYKAURKAAURKBMAPK8
SCHEMBL14837242 0.80 SYK (0.56) SYKEGFRITKAURKAKDR

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.