SCHEMBL16606964

SCHEMBL16606964

CC1(C)Oc2ccc(Nc3ncnc(Cl)n3)nc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.52
NTRK1 P04629 6/20 0.48
NTRK3 Q16288 6/20 0.48
NTRK2 Q16620 6/20 0.48
ADORA3 P0DMS8 2/20 0.48
TYRO3 Q06418 2/20 0.48
JAK1 P23458 2/20 0.48
JAK3 P52333 2/20 0.48
MARK3 P27448 2/20 0.48
BMPR1B O00238 1/20 0.48
CDC7 O00311 1/20 0.48
PIK3CD O00329 1/20 0.48
PLK4 O00444 1/20 0.48
STK25 O00506 1/20 0.48
CIT O14578 1/20 0.48
RIOK3 O14730 1/20 0.48
CHEK1 O14757 1/20 0.48
IKBKB O14920 1/20 0.48
AURKA O14965 1/20 0.48
GAK O14976 1/20 0.48

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
SCHEMBL29671171 1.00 SYK (0.52) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL16606914 0.81 SYK (0.48) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL16606932 0.79 SYK (0.53) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL16606909 0.79 SYK (0.53) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL1083288 0.79 SYK (0.62) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL16606925 0.78 SYK (0.81) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL16607004 0.77 MARK3 (0.34) SYKMARK3
SCHEMBL16606918 0.77 MARK3 (0.32) SYKMARK3
SCHEMBL22068257 0.76 SYK (0.69) SYKNTRK1NTRK3NTRK2ADORA3
SCHEMBL14235384 0.76 SYK (0.49) SYKNTRK1NTRK3NTRK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456720-B1 NOVEL CRYSTALLINE SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE FOR MEDICAL APPLICATION LIMITED MOLECULAR TECH (RU) 2021-06-30 EP disclosed
US-10745414-B2 Crystal salt form of 2,2-dimethyl-6-((4-((3,4,5-trimethoxyphenyl)amino)-1,3,5-triazine-2-yl)amino)-2H-pyrido[3,2-b][1,4]oxazine-3(4H)-one for human use LIMITED “MOLECULAR TECHNOLOGIES” (RU) 2020-08-18 US disclosed
US-20190292198-A1 A NEW CRYSTAL SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZINE-2-YL)AMINO)-2H PYRIDO[3,2-B][1,4]OXAZINE-3(4H)-ONE FOR HUMAN USE LIMITED "MOLECULAR TECHNOLOGIES" (RU) 2019-09-26 US disclosed
EP-3456720-A1 NOVEL CRYSTALLINE SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE FOR MEDICAL APPLICATION Limited "Molecular Technologies" (RU) 2019-03-20 EP disclosed
WO-2015047124-A1 NOVEL CHEMICAL COMPOUNDS DERIVED FROM 2,4-DIAMINO-1,3,5-TRIAZINE FOR THE PROPHYLAXIS AND TREATMENT OF HUMAN AND ANIMAL DISEASES Общество с ограниченной ответственностью "Молекулярные Технологии" 2015-04-02 WO 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-10745414-B2 Crystal salt form of 2,2-dimethyl-6-((4-((3,4,5-trimethoxyphenyl)amino)-1,3,5-triazine-2-yl)amino)-2H-pyrido[3,2-b][1,4]oxazine-3(4H)-one for human use SYK, SRC, JAK2 SYK 1/4885NTRK1 285/4885NTRK3 633/4885
US-20190292198-A1 A NEW CRYSTAL SALT FORM OF 2,2-DIMETHYL-6-((4-((3,4,5-TRIMETHOXYPHENYL)AMINO)-1,3,5-TRIAZINE-2-YL)AMINO)-2H PYRIDO[3,2-B][1,4]OXAZINE-3(4H)-ONE FOR HUMAN USE SYK, SRC, JAK1 SYK 1/4885NTRK1 270/4885NTRK3 591/4885

“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.