SCHEMBL30140997

SCHEMBL30140997

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.51
▸ HPGD P15428 1/20 0.49
▸ XDH P47989 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HINT1 P49773 2/20 0.41
▸ STING1 Q86WV6 3/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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
SCHEMBL30898731 0.89 TYMP (0.51) TYMPHPGDXDHTAAR1HINT1
SCHEMBL19356965 0.87 TYMP (0.44) TYMPHPGDTAAR1HINT1TAS1R3
SCHEMBL30141048 0.87 TYMP (0.44) TYMPHINT1
SCHEMBL19362152 0.87 TYMP (0.45) TYMPHPGDTAAR1TAS1R3TAS1R1
SCHEMBL22556249 0.87 TYMP (0.45) TYMPHPGD
SCHEMBL24513002 0.87 TYMP (0.45) TYMPHPGDTAAR1TAS1R3TAS1R1
SCHEMBL22594612 0.87 TYMP (0.45) TYMPHPGD
SCHEMBL22556252 0.87 TYMP (0.45) TYMPHPGD
SCHEMBL31359570 0.87 TYMP (0.45) TYMPHPGD
SCHEMBL1096942 0.87 TYMP (0.45) TYMPHPGDTAAR1TAS1R3TAS1R1

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 76/4885HPGD 1764/4885XDH 439/4885

“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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