SCHEMBL18475067

SCHEMBL18475067

C#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@](F)(COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ HINT1 P49773 4/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL17461029 0.92 PNP (0.42) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL18475039 0.90 PNP (0.45) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL19590295 0.87 PNP (0.44) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL18477849 0.86 PNP (0.44) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL20250997 0.79 TAAR1 (0.45) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL16214941 0.79 PNP (0.42) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL25529117 0.78 TAAR1 (0.42) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL15841121 0.77 PNP (0.34) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL15841151 0.77 PNP (0.34) PNPGSK3ARPS6KA3MAPK14HINT1
SCHEMBL15833027 0.76 ADORA3 (0.49) PNPHINT1ADORA3NT5EHPRT1

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-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 — — US disclosed
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2021-05-13 — — US disclosed
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 — — US disclosed
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-09-22 — — US disclosed
US-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2019-02-21 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-20170037075-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-02-09 — — 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 (7 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-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B PNP 1/4885GSK3A 2880/4885RPS6KA3 2117/4885
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 PNP 1/4885GSK3A 1770/4885RPS6KA3 1386/4885
US-20170037075-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 PNP 1/4885GSK3A 1770/4885RPS6KA3 1386/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B PNP 1/4885GSK3A 2880/4885RPS6KA3 2117/4885
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 PNP 1/4885GSK3A 1770/4885RPS6KA3 1386/4885
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B PNP 1/4885GSK3A 2880/4885RPS6KA3 2117/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B PNP 1/4885GSK3A 2880/4885RPS6KA3 2117/4885

“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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