SCHEMBL23225541

SCHEMBL23225541

C[C@@]1(O)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.44
ADORA2A P29274 2/20 0.43
HINT1 P49773 1/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL16374160 0.92 HINT1 (0.41) NT5EADORA2AHINT1ADORA2BADORA1
SCHEMBL19590406 0.92 HINT1 (0.41) NT5EADORA2AHINT1ADORA2BADORA1
SCHEMBL17359763 0.92 HINT1 (0.41) NT5EADORA2AHINT1ADORA2BADORA1
SCHEMBL930787 0.91 NT5E (0.44) NT5EADORA2AHINT1ALDH1A1LMNA
SCHEMBL17453217 0.91 NT5E (0.44) NT5EADORA2AHINT1ALDH1A1LMNA
SCHEMBL24829628 0.91 NT5E (0.44) NT5EADORA2AHINT1ALDH1A1LMNA
SCHEMBL14652919 0.91 NT5E (0.44) NT5EADORA2AHINT1ALDH1A1LMNA
SCHEMBL19777955 0.91 NT5E (0.44) NT5EADORA2AHINT1ALDH1A1LMNA
SCHEMBL20754603 0.91 HINT1 (0.41) NT5EADORA2AHINT1ALDH1A1LMNA
SCHEMBL930786 0.91 NT5E (0.44) NT5EADORA2AHINT1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 EP disclosed
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

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-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 NT5E 15/4885ADORA2A 71/4885HINT1 83/4885
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 NT5E 15/4885ADORA2A 71/4885HINT1 83/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B NT5E 9/4885ADORA2A 71/4885HINT1 137/4885

“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.