SCHEMBL31359570

SCHEMBL31359570

COc1ccc(C(OC[C@]23COC(C2O)[C@H](n2cnc4c(=O)[nH]c(N=CN(C)C)nc42)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.45
▸ HPGD P15428 1/20 0.36
▸ CTSK P43235 1/20 0.33
▸ NT5E P21589 1/20 0.32
▸ IMPDH2 P12268 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ IMPDH1 P20839 1/20 0.31

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
SCHEMBL22556252 1.00 TYMP (0.45) TYMPHPGDCTSKNT5EIMPDH2
SCHEMBL22594612 1.00 TYMP (0.45) TYMPHPGDCTSKNT5EIMPDH2
SCHEMBL22556249 1.00 TYMP (0.45) TYMPHPGDCTSKNT5EIMPDH2
SCHEMBL19814139 0.90 TYMP (0.39) TYMPHPGDNT5EIMPDH2ADORA3
SCHEMBL19820358 0.90 TYMP (0.39) TYMPHPGDNT5EIMPDH2ADORA3
SCHEMBL21401315 0.90 TYMP (0.39) TYMPHPGDNT5EIMPDH2ADORA3
SCHEMBL22585437 0.90 TYMP (0.39) TYMPHPGD
SCHEMBL23827270 0.87 TYMP (0.43) TYMPHPGDCTSKNT5EIMPDH2
SCHEMBL23827268 0.87 TYMP (0.43) TYMPHPGDCTSKNT5EIMPDH2
SCHEMBL30140997 0.87 TYMP (0.51) TYMPHPGD

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-20250025564-A1 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2025-01-23 — — 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-20250025564-A1 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ADAR, ADA, NUDT1 TYMP 76/4885HPGD 1764/4885CTSK 4077/4885

“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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