SCHEMBL10022231

SCHEMBL10022231

Nc1nc(=O)n([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)cc1C#CCNC(=O)CCSSc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 3/20 0.40
▸ P2RY4 P51582 2/20 0.40
▸ P2RY6 Q15077 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ POLG P54098 1/20 0.38
▸ TRPM2 O94759 1/20 0.38

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
SCHEMBL10020460 1.00 P2RY2 (0.40) P2RY2P2RY4P2RY6POLBPOLG
SCHEMBL10053491 0.94 POLG (0.38) P2RY2P2RY4P2RY6POLG
SCHEMBL10022250 0.89 CA2 (0.41) P2RY2POLBTRPM2
SCHEMBL22415081 0.89 CA2 (0.41) P2RY2POLBTRPM2
SCHEMBL13654806 0.89 CA2 (0.41) P2RY2POLBTRPM2
SCHEMBL12729532 0.89 POLG (0.43) P2RY2P2RY4P2RY6POLBPOLG
SCHEMBL17833854 0.89 POLG (0.43) P2RY2P2RY4P2RY6POLBPOLG
SCHEMBL13314154 0.86 POLG (0.47) P2RY2P2RY4P2RY6POLBPOLG
SCHEMBL13224522 0.86 P2RY2 (0.39) P2RY2P2RY4P2RY6POLBPOLG
SCHEMBL13247074 0.86 P2RY2 (0.39) P2RY2P2RY4P2RY6POLBPOLG

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-8114973-B2 Nucleotide analogs HELICOS BIOSCIENCES CORPORATION (US) 2012-02-14 — — US disclosed
US-20090186351-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2009-07-23 — — 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-20090186351-A1 NUCLEOTIDE ANALOGS NT5C3B, RNGTT, NT5C2 P2RY2 289/4885P2RY4 148/4885P2RY6 254/4885

“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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