SCHEMBL13269366

SCHEMBL13269366

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccsc2)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.60
P2RY1 P47900 4/20 0.60
ADORA2A P29274 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
P2RY2 P41231 3/20 0.60
ADORA3 P0DMS8 3/20 0.60
ADORA2B P29275 3/20 0.60
KMT2A Q03164 2/20 0.60
SRC P12931 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60

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
SCHEMBL62486 0.87 ADORA1 (0.65) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL622588 0.87 ADORA1 (0.69) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL932846 0.87 ADORA1 (0.65) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL13269131 0.85 ADORA1 (0.62) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL4541368 0.85 ADORA1 (0.64) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL13269088 0.85 ADORA1 (0.62) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL13269154 0.85 PDE2A (0.66) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL13269106 0.84 ADORA1 (0.61) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL16670667 0.84 P2RY1 (0.58) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2
SCHEMBL16671284 0.84 ADORA1 (0.60) ADORA1P2RY1ADORA2ASMN1; SMN2P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ACADEMIA SINICA (TW) 2019-05-28 US disclosed
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
EP-3060566-B1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2018-09-05 EP disclosed
US-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 US 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 (4 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-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ADORA2A, ADORA3, ADORA2B ADORA1 6/4885P2RY1 31/4885ADORA2A 1/4885
US-10301348-B2 Compounds for use in prevention and treatment of neurodegenerative diseases and pain ADORA2A, ADORA3, ADORA2B ADORA1 6/4885P2RY1 31/4885ADORA2A 1/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ADORA1 3/4885P2RY1 10/4885ADORA2A 1/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA1 3/4885P2RY1 10/4885ADORA2A 1/4885

“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.