SCHEMBL13268703

SCHEMBL13268703

Cc1cccc(COC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.60
SLC29A1 Q99808 2/20 0.59
P2RY1 P47900 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
P2RY2 P41231 3/20 0.58
SRC P12931 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
PRKAA1 Q13131 1/20 0.58
PDE3A Q14432 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58

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
SCHEMBL13834596 0.91 ADORA1 (0.60) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL13269066 0.91 ADORA1 (0.60) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL5356782 0.89 ADORA3 (0.65) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL13269088 0.89 ADORA1 (0.62) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL622588 0.89 ADORA1 (0.69) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL13268725 0.85 ADORA1 (0.60) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL932846 0.85 ADORA1 (0.65) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL62486 0.85 ADORA1 (0.65) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL13268693 0.85 ADORA2A (0.58) ADORA1SLC29A1P2RY1SMN1; SMN2P2RY2
SCHEMBL10707455 0.84 ADORA1 (0.61) ADORA1SLC29A1P2RY1SMN1; 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 5 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
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 3/4885SLC29A1 267/4885P2RY1 10/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA1 3/4885SLC29A1 267/4885P2RY1 10/4885

“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.