SCHEMBL6536155

SCHEMBL6536155

CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.67
MARS1 P56192 1/20 0.66
P2RY1 P47900 4/20 0.66
P2RY2 P41231 3/20 0.66
ADORA1 P30542 2/20 0.66
SRC P12931 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
TRPM2 O94759 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PDE4D Q08499 1/20 0.66
KCNH2 Q12809 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PDE3A Q14432 1/20 0.66
TAS1R3 Q7RTX0 1/20 0.66

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
SCHEMBL10586454 1.00 PRKACA (0.67) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL10585105 0.94 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL10587627 0.93 EHMT1 (0.71) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL1669299 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL5375737 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL5364744 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL10587414 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL5561909 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL14696397 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL12800893 0.93 EHMT1 (0.69) PRKACAMARS1P2RY1P2RY2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1466004-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS Innovate Biotechnology S.R.L. (IT) 2004-10-13 EP disclosed
WO-2003057894-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2003-07-17 WO 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 PRKACA 1274/4885MARS1 2911/4885P2RY1 10/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 PRKACA 1274/4885MARS1 2911/4885P2RY1 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.