SCHEMBL4763052

SCHEMBL4763052

Nc1ccnn2c([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 16/20 0.47
▸ POLRMT O00411 1/20 0.46
▸ P2RY4 P51582 6/20 0.45
▸ P2RX1 P51575 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX2 Q9UBL9 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
SCHEMBL16479517 0.88 POLRMT (0.59) P2RY2POLRMTP2RX1P2RX3P2RX2
SCHEMBL806950 0.88 POLRMT (0.59) P2RY2POLRMTP2RX1P2RX3P2RX2
SCHEMBL4765532 0.83 P2RY2 (0.49) P2RY2P2RY4P2RX1P2RX3
SCHEMBL17522701 0.80 P2RY2 (0.45) P2RY2POLRMTP2RY4P2RX1P2RX3
SCHEMBL7598980 0.80 P2RY2 (0.51) P2RY2POLRMTP2RY4P2RX1P2RX3
SCHEMBL10153839 0.79 POLRMT (0.61) P2RY2POLRMTP2RY4P2RX1P2RX3
SCHEMBL10120051 0.78 P2RY2 (0.42) P2RY2POLRMTP2RY4P2RX1P2RX3
SCHEMBL17124611 0.77 P2RY2 (0.42) P2RY2POLRMTP2RY4P2RX1P2RX3
SCHEMBL15257394 0.76 P2RX3 (0.45) P2RY2P2RY4P2RX1P2RX3P2RX2
SCHEMBL15259054 0.76 P2RX3 (0.45) P2RY2P2RY4P2RX1P2RX3P2RX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-08-10 — — US disclosed
US-20140200188-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-07-17 — — US disclosed
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-05-03 — — 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 (3 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-20140200188-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, SLC29A2 P2RY2 142/4885POLRMT 101/4885P2RY4 230/4885
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 P2RY2 147/4885POLRMT 103/4885P2RY4 233/4885
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, SLC29A2 P2RY2 153/4885POLRMT 103/4885P2RY4 211/4885

“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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