SCHEMBL17129815

SCHEMBL17129815

CC1(C#N)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@]1(C#N)c1cnc2c(N)ncnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 4/20 0.43
▸ P2RX3 P56373 4/20 0.43
▸ P2RX4 Q99571 3/20 0.43
▸ P2RX2 Q9UBL9 2/20 0.40
▸ POLRMT O00411 1/20 0.40
▸ RNASEL Q05823 2/20 0.39
▸ ENTPD1 P49961 1/20 0.39
▸ P2RY1 P47900 3/20 0.38
▸ P2RY2 P41231 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL17129820 1.00 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL24699896 0.94 P2RX1 (0.38) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL15682900 0.93 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17525235 0.93 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL24700004 0.91 P2RX1 (0.41) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17124612 0.89 P2RX1 (0.38) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129823 0.89 POLRMT (0.47) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129838 0.89 POLRMT (0.47) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129837 0.89 P2RX1 (0.42) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129812 0.89 P2RX1 (0.42) P2RX1P2RX3P2RX4P2RX2POLRMT

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-9242988-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20150274739-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NSUN2, RNGTT, NT5C3B P2RX1 1369/4885P2RX3 1599/4885P2RX4 1678/4885

“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.

Send feedback