SCHEMBL4826069

SCHEMBL4826069

COc1ccc(C(Nc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.58
ADORA1 P30542 1/20 0.43
HIF1A Q16665 1/20 0.42
SLC29A1 Q99808 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL2239678 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL532674 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL6905301 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL22367653 0.94 TYMP (0.65) TYMPHIF1ASLC29A1ADORA3
SCHEMBL532504 0.91 HIF1A (0.53) ADORA1HIF1ASLC29A1PRKAG1PRKAA1
SCHEMBL18486296 0.89 TYMP (0.56) TYMPSLC29A1ADORA3
SCHEMBL14208930 0.89 TYMP (0.45) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL22984001 0.89 TYMP (0.58) TYMP
SCHEMBL3824088 0.89 TYMP (0.58) TYMP
SCHEMBL21044306 0.89 TYMP (0.58) TYMP

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-7427675-B2 Compounds and methods for the characterization of oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2008-09-23 US disclosed
US-20060040308-A1 Compounds and methods for the characterization of oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2006-02-23 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-20060040308-A1 Compounds and methods for the characterization of oligonucleotides POLRMT, DCLRE1B, RNGTT TYMP 43/4885ADORA1 1153/4885HIF1A 3885/4885

“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.