SCHEMBL24049587

SCHEMBL24049587

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2OC(CO)[C@H](F)C2(O)O)c(=O)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HPGD P15428 2/20 0.40
POLA1 P09884 1/20 0.40
ADORA2A P29274 5/20 0.37
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ADA P00813 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 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
SCHEMBL25589113 1.00 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL24049319 1.00 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL38653234 0.88 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL7251830 0.85 KDM4E (0.56) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL29138074 0.84 KDM4E (0.58) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL1378135 0.83 KDM4E (0.60) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL1378141 0.83 KDM4E (0.60) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL31032002 0.82 KDM4E (0.56) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL24049320 0.82 KDM4E (0.59) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL24049637 0.82 KDM4E (0.59) KDM4ETAS1R3TAS1R1HPGDPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174992-A1 REDUCTASE ENZYMES AND PROCESSES FOR MAKING AND USING REDUCTASE ENZYMES MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
WO-2021236859-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2021-11-25 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-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, MTAP KDM4E 2479/4885TAS1R3 2968/4885TAS1R1 3621/4885

“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.