SCHEMBL6404792

SCHEMBL6404792

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OCO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.53
▸ P2RY12 Q9H244 2/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ ADORA1 P30542 1/20 0.43
▸ P2RY2 P41231 1/20 0.42
▸ P2RY1 P47900 1/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL22034224 0.93 TYMP (0.55) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL22033791 0.93 TYMP (0.55) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL30200670 0.91 TYMP (0.56) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL6900160 0.91 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL1040958 0.91 TYMP (0.56) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL6834984 0.91 TYMP (0.56) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL6899475 0.90 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL23650062 0.90 TYMP (0.58) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL6513309 0.90 TYMP (0.58) TYMPP2RY12ADORA1P2RY2P2RY1
SCHEMBL30396368 0.90 TYMP (0.58) TYMPP2RY12ADORA1P2RY2P2RY1

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-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 — — US claimed
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 — — US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 — — US disclosed
EP-1210088-A4 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS SEARLE & CO (US) 2003-03-12 — — EP disclosed
EP-1210088-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2002-06-05 — — EP disclosed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 — — 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 (1 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-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 TYMP 955/4885P2RY12 511/4885PRKAG1 4390/4885

“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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