SCHEMBL21050278

SCHEMBL21050278

C#C[C@@]1([CH2])C[C@H](n2cnc3c(Cl)nc(N)nc32)C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.38
▸ HSP90B1 P14625 3/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ ADORA3 P0DMS8 6/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ AHCY P23526 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CHKA P35790 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL21050260 0.87 AHCY (0.37) NT5EHSP90B1HSP90AA1ADORA3ADORA1
SCHEMBL21050280 0.86 ADORA3 (0.52) NT5EHSP90B1HSP90AA1ADORA3ADORA1
SCHEMBL21050287 0.83 AHCY (0.39) NT5EHSP90B1HSP90AA1ADORA3ADORA1
SCHEMBL21050250 0.83 AHCY (0.39) NT5EHSP90B1HSP90AA1ADORA3ADORA1
Phosphoric Acid SCHEMBL21050258 0.82 NT5E (0.42) NT5EHSP90B1HSP90AA1ADORA3ADORA1
Phosphoric Acid SCHEMBL21050312 0.82 NT5E (0.42) NT5EHSP90B1HSP90AA1ADORA3ADORA1
SCHEMBL21050299 0.81 ADORA3 (0.50) ADORA3
SCHEMBL21050318 0.81 AHCY (0.52) NT5EHSP90B1HSP90AA1ADORA3ADORA1
SCHEMBL7695245 0.78 AHCY (0.44) NT5EHSP90B1HSP90AA1ADORA3ADORA1
SCHEMBL6322153 0.78 AHCY (0.44) NT5EHSP90B1HSP90AA1ADORA3ADORA1

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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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 (2 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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT NT5E 276/4885HSP90B1 2250/4885HSP90AA1 2467/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT NT5E 276/4885HSP90B1 2250/4885HSP90AA1 2467/4885

“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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