SCHEMBL30141033

SCHEMBL30141033

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)C(F)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.42
▸ PDE2A O00408 2/20 0.38
▸ NT5E P21589 15/20 0.38
▸ ADORA1 P30542 2/20 0.36

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
SCHEMBL31359555 0.94 TYMP (0.42) TYMPNT5EADORA1
SCHEMBL30140968 0.91 TYMP (0.40) TYMPNT5EADORA1
SCHEMBL30140974 0.91 TYMP (0.40) TYMPNT5EADORA1
SCHEMBL30141043 0.88 TYMP (0.38) TYMPNT5EADORA1
SCHEMBL27193642 0.87 TYMP (0.49) TYMPPDE2ANT5EADORA1
SCHEMBL26133424 0.87 TYMP (0.37) TYMPNT5EADORA1
SCHEMBL27193645 0.86 TYMP (0.42) TYMPADORA1
SCHEMBL27193644 0.85 TYMP (0.42) TYMPADORA1
SCHEMBL21427347 0.85 TYMP (0.39) TYMPADORA1
SCHEMBL12223717 0.84 NT5E (0.43) PDE2ANT5EADORA1

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 3 patents. 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
EP-4370136-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2024-05-22 — — EP disclosed
WO-2023288045-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-19 — — 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-20250025564-A1 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ADAR, ADA, NUDT1 TYMP 76/4885PDE2A 1692/4885NT5E 56/4885

“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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