SCHEMBL2691311

SCHEMBL2691311

CN(CCCl)c1ccc(CN(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)[PH](=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 5/20 0.54
NT5E P21589 1/20 0.51
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
PNP P00491 1/20 0.48
TGM2 P21980 1/20 0.48
KRAS P01116 9/20 0.47
FUT5 Q11128 1/20 0.47

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
SCHEMBL161814 0.82 NT5E (0.52) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5964928 0.80 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2159124 0.75 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL15397114 0.75 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2825092 0.75 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL24865920 0.75 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL17356523 0.75 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.74 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.74 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.74 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14

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-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
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

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 HINT1 119/4885NT5E 253/4885GSK3A 1382/4885

“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.