SCHEMBL12964409

SCHEMBL12964409

COc1ccc(C(OCC2OC(n3cnc4c(NC(C)=O)ncnc43)[C@H](OCc3ccccc3)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.41
▸ BCHE P06276 1/20 0.36
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ DOT1L Q8TEK3 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL12803159 1.00 TYMP (0.41) TYMPBCHEPRKAG1PRKAA1PRKAB1
SCHEMBL12803158 1.00 TYMP (0.41) TYMPBCHEPRKAG1PRKAA1PRKAB1
SCHEMBL12516421 1.00 TYMP (0.41) TYMPBCHEPRKAG1PRKAA1PRKAB1
SCHEMBL24433796 0.93 TYMP (0.41) TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL25948647 0.93 TYMP (0.41) TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL26002231 0.93 TYMP (0.41) TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL25873786 0.93 TYMP (0.41) TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL22960862 0.93 TYMP (0.41) TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL16326503 0.93 TYMP (0.41) TYMPPRKAG1PRKAA1PRKAB1ADORA1
SCHEMBL15060980 0.91 TYMP (0.39) TYMPPRKAG1PRKAA1PRKAB1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 — — 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE TYMP 459/4885BCHE 4715/4885PRKAG1 1203/4885

“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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