SCHEMBL19412423

SCHEMBL19412423

C[C@H]1C[C@H](c2ccc3c(N)ncnn23)O[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 6/20 0.37
▸ POLRMT O00411 1/20 0.35
▸ ACVRL1 P37023 1/20 0.33
▸ MAP4K4 O95819 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ ADORA2A P29274 2/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ DNMT1 P26358 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ SLC28A1 O00337 1/20 0.30
▸ MAP3K7 O43318 1/20 0.30
▸ SLC28A2 O43868 1/20 0.30
▸ GAPDH P04406 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ ADORA2B P29275 1/20 0.30

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
SCHEMBL19412424 0.89 DOT1L (0.35) DOT1LPOLRMTMAP4K4STING1TNIK
SCHEMBL22972736 0.87 ADRB1 (0.40) DOT1LPOLRMTACVRL1STING1ADORA2A
SCHEMBL30560912 0.87 ADRB1 (0.40) DOT1LPOLRMTACVRL1STING1ADORA2A
SCHEMBL25008844 0.87 ADRB1 (0.40) DOT1LPOLRMTACVRL1STING1ADORA2A
SCHEMBL10154373 0.87 ADRB1 (0.40) DOT1LPOLRMTACVRL1STING1ADORA2A
SCHEMBL24606235 0.87 ADRB1 (0.40) DOT1LPOLRMTACVRL1STING1ADORA2A
SCHEMBL17131353 0.81 STING1 (0.34) DOT1LACVRL1STING1ADORA2ADPP4
SCHEMBL26268832 0.81 DOT1L (0.39) DOT1LPOLRMTACVRL1MAP4K4STING1
SCHEMBL17106684 0.81 DOT1L (0.35) DOT1LPOLRMT
SCHEMBL12000842 0.81 DOT1L (0.31) DOT1LPOLRMTACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT DOT1L 799/4885POLRMT 7/4885ACVRL1 4186/4885

“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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