SCHEMBL16375327

SCHEMBL16375327

NC[C@]1(CO)O[C@@H](n2cnc3c(N)ccnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.46
▸ ADORA2A P29274 3/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ DNMT1 P26358 1/20 0.41
▸ DNMT3B Q9UBC3 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ MAP3K7 O43318 1/20 0.35
▸ SLC28A2 O43868 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ STAT6 P42226 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
SCHEMBL15070360 0.91 AHCY (0.46) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15070300 0.90 ADORA2A (0.48) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15070288 0.90 AHCY (0.45) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16367937 0.86 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16373916 0.83 ADORA3 (0.54) AHCYADORA2AADORA2BADORA3POLB
SCHEMBL16374026 0.83 ADORA3 (0.54) AHCYADORA2AADORA2BADORA3POLB
SCHEMBL18947543 0.81 ADORA2A (0.49) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16367992 0.81 P2RX3 (0.45) SMN1; SMN2
SCHEMBL26311386 0.79 AHCY (0.45) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL17358612 0.79 AHCY (0.49) AHCYADORA2AADORA2BDNMT1DNMT3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194793-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-07-12 — — US disclosed
US-9932363-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-04-03 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20160318967-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2016-11-03 — — US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV 2015-01-01 — — 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 (5 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-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 525/4885ADORA2A 71/4885ADORA2B 114/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 525/4885ADORA2A 71/4885ADORA2B 114/4885
US-20180194793-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 AHCY 445/4885ADORA2A 51/4885ADORA2B 92/4885
US-20160318967-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 AHCY 445/4885ADORA2A 51/4885ADORA2B 92/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 AHCY 445/4885ADORA2A 51/4885ADORA2B 92/4885

“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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