SCHEMBL4765532

SCHEMBL4765532

Nc1nc(F)nn2c([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 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 13/20 0.49
▸ P2RY4 P51582 4/20 0.47
▸ IMPDH2 P12268 1/20 0.44
▸ GPR17 Q13304 2/20 0.43
▸ ENPP1 P22413 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ P2RX1 P51575 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ P2RY11 Q96G91 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43

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
SCHEMBL806950 0.85 POLRMT (0.59) P2RY2IMPDH2P2RY1P2RX1P2RX3
SCHEMBL16479517 0.85 POLRMT (0.59) P2RY2IMPDH2P2RY1P2RX1P2RX3
SCHEMBL4763052 0.83 P2RY2 (0.47) P2RY2P2RY4P2RX1P2RX3
SCHEMBL19101783 0.80 POLRMT (0.48) P2RY2P2RY4GPR17P2RY1P2RY11
SCHEMBL807421 0.79 HIF1A (0.41) —
SCHEMBL10153839 0.79 POLRMT (0.61) P2RY2P2RY4P2RY1P2RX1P2RX3
SCHEMBL16708590 0.78 PNP (0.33) —
SCHEMBL20943584 0.78 PNP (0.33) —
SCHEMBL16698714 0.77 POLRMT (0.65) P2RY2P2RY4GPR17P2RY1P2RY11
SCHEMBL20960138 0.77 POLRMT (0.65) P2RY2P2RY4GPR17P2RY1P2RY11

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 6 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-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-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
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 142/4885P2RY4 230/4885IMPDH2 26/4885
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 P2RY2 147/4885P2RY4 233/4885IMPDH2 30/4885
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, SLC29A2 P2RY2 153/4885P2RY4 211/4885IMPDH2 28/4885

“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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