SCHEMBL16998340

SCHEMBL16998340

Nc1ncnc2c1ncn2[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(F)F)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 4/20 0.60
▸ P2RX3 P56373 4/20 0.60
▸ P2RX2 Q9UBL9 2/20 0.60
▸ P2RY1 P47900 7/20 0.59
▸ P2RY2 P41231 5/20 0.59
▸ P2RY11 Q96G91 1/20 0.59
▸ P2RX4 Q99571 3/20 0.57
▸ SRC P12931 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ RNASEL Q05823 1/20 0.56
▸ MACROD2 A1Z1Q3 1/20 0.54
▸ SIRT6 Q8N6T7 1/20 0.54
▸ MACROD1 Q9BQ69 1/20 0.54
▸ TRPM2 O94759 1/20 0.54

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
SCHEMBL16998341 0.89 P2RY1 (0.50) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL16998343 0.87 RNASEL (0.57) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL15828310 0.87 P2RX1 (0.63) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL15828228 0.87 P2RX1 (0.63) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL31398396 0.85 P2RX1 (0.63) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL17384915 0.85 P2RY1 (0.64) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL16373878 0.83 P2RX1 (0.61) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL16998342 0.83 TGM2 (0.53) P2RY2
SCHEMBL21465279 0.83 P2RX1 (0.60) P2RX1P2RX3P2RX2P2RY1P2RY2
SCHEMBL17641457 0.83 P2RX1 (0.60) P2RX1P2RX3P2RX2P2RY1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2017-10-19 — — US disclosed
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2017-10-19 — — US disclosed
US-9370569-B2 4′-difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication RIBOSCIENCE LLC (US) 2016-06-21 — — US disclosed
US-9370569-B2 4′-difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication RIBOSCIENCE LLC (US) 2016-06-21 — — US disclosed
US-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2015-08-13 — — US disclosed
WO-2015120237-A2 4'-DIFLUOROMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF INFLUENZA RNA REPLICATION RIBOSCIENCE LLC (US) 2015-08-13 — — WO disclosed
US-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RIBOSCIENCE LLC 2015-08-13 — — 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 (2 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-20150225441-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RNMT, DUT, RNGTT P2RX1 409/4885P2RX3 612/4885P2RX2 728/4885
US-20170296664-A1 4'-Difluoromethyl Substituted Nucleoside Derivatives as Inhibitors of Influenza RNA Replication RNMT, DUT, RNGTT P2RX1 409/4885P2RX3 612/4885P2RX2 728/4885

“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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