SCHEMBL17501748

SCHEMBL17501748

Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H](COCc2ccccc2)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.64
PDE2A O00408 1/20 0.49
HSPA5 P11021 1/20 0.47
ADORA1 P30542 2/20 0.46
NT5E P21589 1/20 0.46
ADORA2A P29274 3/20 0.46
DOT1L Q8TEK3 3/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ADORA3 P0DMS8 2/20 0.45

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
SCHEMBL10749310 1.00 AHCY (0.64) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL10749299 1.00 AHCY (0.64) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL9025101 0.84 AHCY (0.53) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL9025109 0.84 AHCY (0.53) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL10747082 0.84 AHCY (0.49) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL17501769 0.84 AHCY (0.49) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL17501760 0.84 AHCY (0.47) AHCYPDE2AHSPA5ADORA1PI4KA
SCHEMBL17501729 0.84 AHCY (0.47) AHCYPDE2AHSPA5ADORA1DOT1L
SCHEMBL10431915 0.82 AHCY (0.62) AHCYPDE2AHSPA5ADORA1NT5E
SCHEMBL8781156 0.81 AHCY (0.55) AHCYNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787478-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2020-09-29 US disclosed
US-20190202854-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2019-07-04 US disclosed
US-10227373-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2019-03-12 US disclosed
US-20170260223-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2017-09-14 US disclosed
EP-3177296-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A Auburn University (US) 2017-06-14 EP disclosed
US-9657048-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2017-05-23 US disclosed
WO-2016022563-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY (US) 2016-02-11 WO disclosed
US-20160039860-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2016-02-11 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-10787478-B2 Enantiomers of the 1′,6′-isomer of neplanocin A NME2, NTPCR, SAMHD1 AHCY 32/4885PDE2A 1593/4885HSPA5 2790/4885
US-10227373-B2 Enantiomers of the 1′,6′-isomer of neplanocin A NME2, NTPCR, SAMHD1 AHCY 32/4885PDE2A 1593/4885HSPA5 2790/4885
US-20170260223-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 AHCY 32/4885PDE2A 1573/4885HSPA5 2775/4885
US-20160039860-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 AHCY 32/4885PDE2A 1573/4885HSPA5 2775/4885
US-20190202854-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 AHCY 32/4885PDE2A 1573/4885HSPA5 2775/4885

“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.