SCHEMBL17522701

SCHEMBL17522701

C[C@@]1(N)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1ccc2c(N)ccnn12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 9/20 0.45
▸ P2RY4 P51582 4/20 0.45
▸ POLRMT O00411 1/20 0.44
▸ P2RX1 P51575 3/20 0.41
▸ P2RX3 P56373 3/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ POLA1 P09884 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ P2RY6 Q15077 2/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ P2RY11 Q96G91 1/20 0.40
▸ RNASEL Q05823 2/20 0.39

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
SCHEMBL7598980 0.91 P2RY2 (0.51) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL15682895 0.88 POLRMT (0.55) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL17124611 0.88 P2RY2 (0.42) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL17522697 0.88 P2RY2 (0.42) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL3699139 0.80 POLRMT (0.55) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL13519829 0.80 POLRMT (0.55) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL16710862 0.80 POLRMT (0.55) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL4763052 0.80 P2RY2 (0.47) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL10149537 0.80 POLRMT (0.56) P2RY2P2RY4POLRMTP2RX1P2RX3
SCHEMBL16480932 0.80 POLRMT (0.54) P2RY2P2RY4POLRMTP2RX1P2RX3

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-9457039-B2 2′-disubstituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-10-04 — — US disclosed
US-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — 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-20160045526-A1 2'-DISUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SLC28A2, SLC28A1, SLC29A2 P2RY2 275/4885P2RY4 412/4885POLRMT 178/4885

“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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