SCHEMBL13838189

SCHEMBL13838189

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(OC(=S)N3CCS(=O)(=O)CC3)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.38
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ GAPDH P04406 2/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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
SCHEMBL13830723 1.00 TYMP (0.38) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL10457923 0.95 TYMP (0.38) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL10461189 0.95 TYMP (0.38) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL20346200 0.91 TYMP (0.38) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL917916 0.90 PRMT6 (0.41) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL24878603 0.89 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL668595 0.89 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL25873876 0.89 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL29581997 0.89 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1
SCHEMBL26535891 0.89 TYMP (0.43) TYMPPRMT6PRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896472-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2018-02-20 — — US disclosed
US-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-11-15 — — 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 (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-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, SNRPB2, RNGTT TYMP 202/4885PRMT6 897/4885PRKAG1 2125/4885

“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.

Send feedback