SCHEMBL25524874

SCHEMBL25524874

CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@H]1O[C@](F)(CI)[C@@H](O)[C@@]1(C)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.32
▸ ADORA3 P0DMS8 4/20 0.32
▸ ADORA2A P29274 4/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA2B P29275 2/20 0.32

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
SCHEMBL15833222 1.00 TYMP (0.32) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL15833015 0.94 TYMP (0.33) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL15833230 0.94 TYMP (0.33) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL25524866 0.94 TYMP (0.33) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL15837355 0.92 TYMP (0.30) TYMP
SCHEMBL25524870 0.92 TYMP (0.30) TYMP
SCHEMBL15833294 0.90 TYMP (0.31) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL17357568 0.90 NT5E (0.33) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL15833151 0.90 NT5E (0.33) TYMPADORA3ADORA2AADORA1ADORA2B
SCHEMBL16368176 0.89 TYMP (0.31) TYMPADORA3ADORA2AADORA1ADORA2B

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 1 patent. 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

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-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TYMP 14/4885ADORA3 97/4885ADORA2A 71/4885

“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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