SCHEMBL113725

SCHEMBL113725

CN(C)c1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)Sc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 7/20 0.60
▸ IMPDH1 P20839 2/20 0.59
▸ TAS1R3 Q7RTX0 1/20 0.57
▸ TAS1R1 Q7RTX1 1/20 0.57
▸ NT5E P21589 2/20 0.55
▸ TGM2 P21980 1/20 0.52
▸ P2RX3 P56373 1/20 0.51
▸ HINT1 P49773 2/20 0.49
▸ DNPH1 O43598 1/20 0.49

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
SCHEMBL263726 0.87 IMPDH2 (0.75) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL14929355 0.85 IMPDH2 (0.64) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL14946391 0.85 IMPDH2 (0.64) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL18574075 0.85 IMPDH2 (0.64) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL16508951 0.84 IMPDH2 (0.66) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL18574074 0.84 P2RX3 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL14929515 0.84 P2RX3 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL30363045 0.84 P2RX3 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL14946399 0.84 P2RX3 (0.65) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
Benzene SCHEMBL159359 0.82 IMPDH2 (0.54) IMPDH2IMPDH1TAS1R3TAS1R1NT5E

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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 — — US claimed
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 — — EP claimed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 — — WO claimed
US-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-05-03 — — US disclosed
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 — — EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 — — WO 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-20120108533-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS PNP, TYMP, MTAP IMPDH2 121/4885IMPDH1 57/4885TAS1R3 3876/4885

“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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