SCHEMBL19049958

SCHEMBL19049958

CO[C@H](CO)[C@@H](O)[C@@](C)(O)n1ncc2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.41
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41
PI4K2A Q9BTU6 3/20 0.41
PI4KB Q9UBF8 3/20 0.41
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
EGFR P00533 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL19049972 0.81 AHCY (0.33) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL8140442 0.80 PRMT5 (0.38) XDHADORA2AAHCY
SCHEMBL20052485 0.80 PRMT5 (0.38) XDHADORA2AAHCY
SCHEMBL12031062 0.80 PRMT5 (0.38) XDHADORA2AAHCY
SCHEMBL20052484 0.76 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL156688 0.74 PI4KA (0.61) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL29773082 0.74 PI4KA (0.61) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL20053462 0.74 PRMT5 (0.39) XDHADORA2AAHCY
SCHEMBL19049955 0.73 RET (0.38)
SCHEMBL19049971 0.72 PRMT5 (0.37) XDH

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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 XDH 841/4885PI4KA 1711/4885PI4K2B 2200/4885

“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.