SCHEMBL21709764

SCHEMBL21709764

C#C[C@@]1(CO)CC[C@H](n2cnc3c(C)nc(F)nc32)O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.34
LMNA P02545 1/20 0.34
NT5E P21589 1/20 0.34
HIF1A Q16665 1/20 0.34
CHKA P35790 1/20 0.33
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL2520516 0.88 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL22855175 0.88 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL25867818 0.82 PNP (0.39) LMNAADORA3ADORA2AADORA2BADORA1
SCHEMBL22939403 0.81 NT5E (0.37) NT5ECHKAADORA3ADORA2AADORA2B
SCHEMBL22939597 0.80 ADORA3 (0.35) NT5ECHKAADORA3ADORA2AADORA2B
SCHEMBL25659855 0.80 AHCY (0.45) AHCYLMNANT5EHIF1ACHKA
SCHEMBL26295158 0.79 AHCY (0.37) AHCYLMNANT5EHIF1ACHKA
SCHEMBL2524440 0.78 PDE4D (0.53) LMNANT5EADORA3ADORA2AADORA1
SCHEMBL2520562 0.78 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL12214180 0.74 AHCY (0.41) AHCYLMNANT5EHIF1ACHKA

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-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR PRIMEFOUR THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2020031131-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-02-13 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-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR TYMP, TYMS, DCTD AHCY 248/4885LMNA 3687/4885NT5E 159/4885

“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.