SCHEMBL18503740

SCHEMBL18503740

CC[C@]12O[C@@H](n3cnc4c(N)ncnc43)C(OC13CC3)[C@H]2OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.47
▸ DOT1L Q8TEK3 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TMIGD3 P0DMS9 1/20 0.41
▸ HSP90B1 P14625 1/20 0.41
▸ ADORA2A P29274 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
SCHEMBL18708184 1.00 AHCY (0.47) AHCYDOT1LGAAPI4KAPI4K2B
SCHEMBL18513281 0.90 AHCY (0.47) AHCYDOT1LPI4KAPI4K2BPI4K2A
SCHEMBL20041577 0.90 AHCY (0.47) AHCYDOT1LPI4KAPI4K2BPI4K2A
SCHEMBL18513221 0.90 AHCY (0.47) AHCYDOT1LPI4KAPI4K2BPI4K2A
SCHEMBL18708181 0.83 ADORA2A (0.47) ADORA1P2RY12TSHRADORA3ADORA2B
SCHEMBL18503745 0.83 ADORA2A (0.47) ADORA1P2RY12TSHRADORA3ADORA2B
SCHEMBL24264132 0.79 PI4K2A (0.51) AHCYDOT1LGAAPI4KAPI4K2B
SCHEMBL18513222 0.78 AHCY (0.45) AHCYGAAPI4KAPI4K2BPI4K2A
SCHEMBL13429417 0.76 ADORA3 (0.51) AHCYDOT1LGAAPI4KAPI4K2B
SCHEMBL23989264 0.76 ADORA3 (0.51) AHCYDOT1LGAAPI4KAPI4K2B

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-20170044528-A1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE OSAKA UNIVERSITY (JP) 2017-02-16 — — 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-20170044528-A1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE NSUN2, NCL, NSUN3 AHCY 2343/4885DOT1L 2686/4885GAA 1144/4885

“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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