SCHEMBL21050231

SCHEMBL21050231

C#C[C@@]1(CO)C[C@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ HPRT1 P00492 6/20 0.49
▸ PNP P00491 2/20 0.46
▸ TK1 P04183 1/20 0.42

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
SCHEMBL21050271 1.00 ADORA3 (0.56) ADORA3HPRT1PNPTK1
SCHEMBL21050279 0.90 ADORA3 (0.56) ADORA3HPRT1PNPTK1
SCHEMBL21050300 0.90 ADORA3 (0.56) ADORA3HPRT1PNPTK1
SCHEMBL21050299 0.84 ADORA3 (0.50) ADORA3HPRT1PNP
SCHEMBL6315056 0.84 ADORA3 (0.59) ADORA3HPRT1PNPTK1
SCHEMBL9242370 0.84 ADORA3 (0.59) ADORA3HPRT1PNPTK1
SCHEMBL9764502 0.84 ADORA3 (0.59) ADORA3HPRT1PNPTK1
SCHEMBL21100357 0.83 ADORA3 (0.58) ADORA3HPRT1PNPTK1
SCHEMBL21050250 0.82 AHCY (0.39) ADORA3PNP
SCHEMBL21050287 0.82 AHCY (0.39) ADORA3PNP

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 4 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 claimed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — US claimed
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 ADORA3 712/4885HPRT1 5/4885PNP 20/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT ADORA3 712/4885HPRT1 5/4885PNP 20/4885

“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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