SCHEMBL2627469

SCHEMBL2627469

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.91
JAK1 P23458 5/20 0.91
JAK3 P52333 5/20 0.91
JAK2 O60674 4/20 0.91
ADORA3 P0DMS8 2/20 0.91
TYRO3 Q06418 2/20 0.91
PLK4 O00444 2/20 0.91
AURKA O14965 2/20 0.91
STK16 O75716 2/20 0.91
RET P07949 2/20 0.91
FLT3 P36888 2/20 0.91
MAPK8 P45983 2/20 0.91
MAPK9 P45984 2/20 0.91
MST1R Q04912 2/20 0.91
PTK2 Q05397 2/20 0.91
TNK1 Q13470 2/20 0.91
IKBKE Q14164 2/20 0.91
MAP3K11 Q16584 2/20 0.91
ADCK1 Q86TW2 2/20 0.91
PIP4K2C Q8TBX8 2/20 0.91

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
SCHEMBL12903946 0.95 SYK (0.82) SYKJAK1JAK3JAK2ADORA3
SCHEMBL12903953 0.95 SYK (0.82) SYKJAK1JAK3JAK2ADORA3
R-406 SCHEMBL29358236 0.95 SYK (1.00) SYKJAK1JAK3JAK2ADORA3
R-406 SCHEMBL1200144 0.95 SYK (1.00) SYKJAK1JAK3JAK2ADORA3
SCHEMBL12903945 0.93 SYK (0.78) SYKJAK1JAK3JAK2ADORA3
SCHEMBL12903959 0.92 SYK (0.77) SYKJAK1JAK3JAK2ADORA3
SCHEMBL11937326 0.92 SYK (0.87) SYKJAK1JAK3JAK2ADORA3
R-406 SCHEMBL12903997 0.91 SYK (0.92) SYKJAK1JAK3JAK2ADORA3
SCHEMBL1383686 0.91 SYK (0.89) SYKJAK1JAK3JAK2ADORA3
R-406 SCHEMBL12903982 0.90 SYK (0.91) SYKJAK1JAK3JAK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153912-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2018-06-07 US disclosed
US-9737554-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9532998-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed
US-20160367575-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2016-12-22 US disclosed
US-20160136191-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-9283238-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2016-03-15 US disclosed
US-9266912-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20150133404-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2015-05-14 US disclosed
US-8912170-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140357598-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2014-12-04 US disclosed
US-20120108810-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8163902-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20110319613-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-7989448-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-08-02 US disclosed
US-20110144059-A1 PRODRUGS OF 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-7962290-B1 Identification of pharmacophores from co-crystals of spleen tyrosine kinase (SYK) and SYK ligands RIGEL PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20110015155-A1 Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-20 US disclosed
US-7563892-B1 Prodrugs of 2,4 pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-07-21 US disclosed
US-7538108-B2 Prodrugs of 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20090124580-A1 Autoimmune diseases; water solubility of prodrug can be tailored to improve bioavailability using substution at amine groups; inhibitors of degranulation of immune cells; inhibit/activate Fc receptor signaling cascades RIGEL PHARMACEUTICALS, INC. 2009-05-14 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 (10 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-20140357598-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2055/4885JAK1 3777/4885JAK3 3380/4885
US-20160367575-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2198/4885JAK1 3777/4885JAK3 3546/4885
US-20160136191-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2055/4885JAK1 3777/4885JAK3 3380/4885
US-20150133404-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2198/4885JAK1 3777/4885JAK3 3546/4885
US-20110015155-A1 Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses DPYD, DUT, TYMP SYK 2772/4885JAK1 3139/4885JAK3 2271/4885
US-20180153912-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2198/4885JAK1 3777/4885JAK3 3546/4885
US-20110144059-A1 PRODRUGS OF 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES DPYD, TYMP, DCTD SYK 2198/4885JAK1 3777/4885JAK3 3546/4885
US-20110319613-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2055/4885JAK1 3777/4885JAK3 3380/4885
US-20090124580-A1 Autoimmune diseases; water solubility of prodrug can be tailored to improve bioavailability using substution at amine groups; inhibitors of degranulation of immune cells; inhibit/activate Fc receptor signaling cascades FCGR3B, FCER2, FCGR1A SYK 8/4885JAK1 472/4885JAK3 872/4885
US-20120108810-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2055/4885JAK1 3777/4885JAK3 3380/4885

“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.