SCHEMBL13268689

SCHEMBL13268689

CC(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.68
AHCY P23526 2/20 0.62
NADK O95544 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
DOT1L Q8TEK3 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
SLC29A1 Q99808 1/20 0.61

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
SCHEMBL13269093 1.00 ADORA1 (0.68) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13268819 1.00 ADORA1 (0.68) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13269468 0.93 AHCY (0.62) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13268675 0.92 AHCY (0.61) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13268746 0.92 AHCY (0.61) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13269136 0.92 AHCY (0.61) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13268772 0.91 AHCY (0.60) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13268679 0.91 AHCY (0.60) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13268925 0.91 AHCY (0.60) ADORA1AHCYNADKSMN1; SMN2DOT1L
SCHEMBL13269107 0.91 AHCY (0.60) ADORA1AHCYNADKSMN1; SMN2DOT1L

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-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
CN-102812033-B N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2015-11-25 CN disclosed
CN-104382924-A N6-substituted adenosine derivative and N6-substituted adenine derivative and application thereof INST MATERIA MEDICA CAMS 2015-03-04 CN disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP 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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ADORA1 3/4885AHCY 217/4885NADK 252/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA1 3/4885AHCY 217/4885NADK 252/4885

“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.