SCHEMBL20834955

SCHEMBL20834955

Nc1ncnn2c([C@H]3CC[C@@H](CCO)O3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.35
▸ ACVRL1 P37023 3/20 0.33
▸ POLRMT O00411 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30
▸ STING1 Q86WV6 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
SCHEMBL19343962 0.90 CYP2A6 (0.39) DOT1LACVRL1POLRMTMAP4K4PIK3CD
SCHEMBL18667150 0.90 CYP2A6 (0.39) DOT1LACVRL1POLRMTMAP4K4PIK3CD
SCHEMBL19344220 0.90 CYP2A6 (0.39) DOT1LACVRL1POLRMTMAP4K4PIK3CD
SCHEMBL4970560 0.90 CYP2A6 (0.39) DOT1LACVRL1POLRMTMAP4K4PIK3CD
SCHEMBL19344234 0.85 CYP2A6 (0.39) DOT1LACVRL1POLRMTMAP4K4PIK3CD
SCHEMBL24058306 0.84 POLRMT (0.35) DOT1LPOLRMTMAP4K4STING1
SCHEMBL24340458 0.80 POLRMT (0.43) DOT1LPOLRMT
SCHEMBL22355531 0.80 POLRMT (0.43) DOT1LPOLRMT
SCHEMBL24606310 0.80 DOT1L (0.36) DOT1LPOLRMTPIK3CD
SCHEMBL24606327 0.79 DOT1L (0.34) DOT1LPOLRMT

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-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2021-10-19 — — US disclosed
US-20200277321-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF Janssen Pharmaceuticals, Inc. 2020-09-03 — — US disclosed
WO-2019053696-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2019-03-21 — — 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 (2 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-20200277321-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF PNP, RNGTT, NT5C3B DOT1L 4694/4885ACVRL1 2156/4885POLRMT 79/4885
US-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 DOT1L 4140/4885ACVRL1 3303/4885POLRMT 48/4885

“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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