SCHEMBL23966231

SCHEMBL23966231

C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(Cl)nc32)C[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.61
PDE3A Q14432 2/20 0.61
PNP P00491 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ADORA2A P29274 5/20 0.56
ADORA3 P0DMS8 11/20 0.54
HSP90B1 P14625 4/20 0.54
HSP90AA1 P07900 2/20 0.54
ADORA1 P30542 4/20 0.52
PDE2A O00408 1/20 0.49
ADRA1A P35348 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
NT5E P21589 1/20 0.48
ADORA2B P29275 1/20 0.46

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
SCHEMBL12736902 1.00 PDE4D (0.61) PDE4DPDE3APNPLMNATP53
SCHEMBL9548618 0.89 AHCY (0.53) PDE4DPDE3APNPLMNATP53
SCHEMBL9548611 0.89 AHCY (0.53) PDE4DPDE3APNPLMNATP53
SCHEMBL31652941 0.87 AHCY (0.54) PDE4DPDE3APNPLMNATP53
SCHEMBL30689530 0.87 AHCY (0.54) PDE4DPDE3APNPLMNATP53
SCHEMBL21614181 0.87 AHCY (0.54) PDE4DPDE3APNPLMNATP53
SCHEMBL24195283 0.87 AHCY (0.54) PDE4DPDE3APNPLMNATP53
SCHEMBL20670946 0.87 AHCY (0.54) PDE4DPDE3APNPLMNATP53
SCHEMBL26125834 0.86 PDE4D (0.58) PDE4DPDE3APNPLMNATP53
SCHEMBL17234114 0.85 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR PRIMEFOUR THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2023178128-A1 METHODS OF TREATING MEDICAL CONDITIONS USING ISLATRAVIR OR A RELATED COMPOUND ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022271878-A1 4-ETHYNYL-3-HYDROXY-TETRAHYDROFURANYL-ADENINE PHOSPHORAMIDATES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022256625-A1 LINE-1 INHIBITORS AS COGNITIVE ENHANCERS TRANSPOSON THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed
US-20220010316-A1 ENGINEERED PURINE NUCLEOSIDE PHOSPHORYLASE VARIANT ENZYMES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-01-13 US disclosed
US-11162105-B2 Engineered purine nucleoside phosphorylase variant enzymes CODEXIS, INC. (US) 2021-11-02 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-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR TYMP, TYMS, DCTD PDE4D 2141/4885PDE3A 2953/4885PNP 50/4885

“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.