SCHEMBL11937326

SCHEMBL11937326

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 16/20 0.87
▸ AURKA O14965 4/20 0.87
▸ EGFR P00533 3/20 0.87
▸ JAK2 O60674 3/20 0.87
▸ ADORA3 P0DMS8 2/20 0.87
▸ TYRO3 Q06418 2/20 0.87
▸ PLK4 O00444 2/20 0.87
▸ STK16 O75716 2/20 0.87
▸ RET P07949 2/20 0.87
▸ FLT3 P36888 2/20 0.87
▸ MAPK8 P45983 2/20 0.87
▸ MAPK9 P45984 2/20 0.87
▸ MST1R Q04912 2/20 0.87
▸ PTK2 Q05397 2/20 0.87
▸ TNK1 Q13470 2/20 0.87
▸ IKBKE Q14164 2/20 0.87
▸ MAP3K11 Q16584 2/20 0.87
▸ ADCK1 Q86TW2 2/20 0.87
▸ PIP4K2C Q8TBX8 2/20 0.87
▸ NEK9 Q8TD19 2/20 0.87

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 SCHEMBL1200144 0.93 SYK (1.00) SYKAURKAEGFRJAK2ADORA3
R-406 SCHEMBL29358236 0.93 SYK (1.00) SYKAURKAEGFRJAK2ADORA3
SCHEMBL2627469 0.92 SYK (0.91) SYKAURKAEGFRJAK2ADORA3
R-406 SCHEMBL12903982 0.90 SYK (0.91) SYKAURKAEGFRJAK2ADORA3
R-406 SCHEMBL12903997 0.89 SYK (0.92) SYKAURKAEGFRJAK2ADORA3
SCHEMBL1383686 0.89 SYK (0.89) SYKAURKAEGFRJAK2ADORA3
R-406 SCHEMBL12904000 0.89 SYK (0.89) SYKAURKAEGFRJAK2ADORA3
SCHEMBL12903946 0.89 SYK (0.82) SYKAURKAEGFRJAK2ADORA3
R-406 SCHEMBL12903973 0.87 SYK (0.86) SYKAURKAEGFRJAK2ADORA3
SCHEMBL12903953 0.87 SYK (0.82) SYKAURKAEGFRJAK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291909-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
US-8481521-B2 Methods of treating cell proliferative disorders RIGEL PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-8481521-B2 Methods of treating cell proliferative disorders RIGEL PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20120245127-A1 Methods of Treating Cell Proliferative Disorders RIGEL PHARMACEUTICALS, INC. (US) 2012-09-27 — — US disclosed
US-8227455-B2 Methods of treating cell proliferative disorders RIGEL PHARMACEUTICALS, INC. (US) 2012-07-24 — — US disclosed
US-7449458-B2 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; tyrosine kinase Syk kinase inhibitor; collagen-induced platelet activation inhibitor RIGEL PHARMACEUTICALS, INC. (US) 2008-11-11 — — 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-20120245127-A1 Methods of Treating Cell Proliferative Disorders MKI67, SYK, TP53 SYK 2/4885AURKA 723/4885EGFR 782/4885
US-20170291909-A1 Prodrugs of 2,4-Pyrimidinediamine Compounds and Their Uses DPYD, TYMP, DCTD SYK 2055/4885AURKA 617/4885EGFR 3219/4885

“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.

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