SCHEMBL21050226

SCHEMBL21050226

C#C[C@@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H](n2cnc3c(N)nc(Cl)nc32)C[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 13/20 0.62
▸ P2RY2 P41231 4/20 0.62
▸ NT5E P21589 5/20 0.46
▸ P2RY11 Q96G91 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90B1 P14625 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
SCHEMBL21050273 1.00 P2RY1 (0.62) P2RY1P2RY2NT5EP2RY11HSP90AA1
SCHEMBL21050247 0.92 P2RY1 (0.51) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050232 0.92 P2RY1 (0.51) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050255 0.90 P2RY1 (0.50) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050320 0.90 P2RY1 (0.50) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050257 0.89 P2RY1 (0.49) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050311 0.89 P2RY1 (0.49) P2RY1P2RY2NT5EP2RY11
SCHEMBL21100457 0.86 P2RY1 (0.65) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050310 0.85 P2RY1 (0.45) P2RY1P2RY2NT5EP2RY11
SCHEMBL21050245 0.85 P2RY1 (0.46) P2RY1P2RY2NT5EP2RY11

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 claimed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — US claimed

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 P2RY1 3371/4885P2RY2 4227/4885NT5E 276/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT P2RY1 3371/4885P2RY2 4227/4885NT5E 276/4885

“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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