SCHEMBL14696397

SCHEMBL14696397

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.69
PRKACA P17612 2/20 0.69
RXFP1 Q9HBX9 1/20 0.66
AHCY P23526 1/20 0.63
MARS1 P56192 1/20 0.62
DNPH1 O43598 1/20 0.62
PRKAB2 O43741 1/20 0.62
TRPM2 O94759 1/20 0.62
LDHA P00338 1/20 0.62
ADRB2 P07550 1/20 0.62
FBP1 P09467 1/20 0.62
SRC P12931 1/20 0.62
ADORA1 P30542 1/20 0.62
P2RY2 P41231 1/20 0.62
P2RY1 P47900 1/20 0.62
PRKAG1 P54619 1/20 0.62
PRKAA2 P54646 1/20 0.62
PDE4D Q08499 1/20 0.62
KCNH2 Q12809 1/20 0.62
PRKAA1 Q13131 1/20 0.62

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
SCHEMBL5561909 1.00 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL12800893 1.00 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL5364744 1.00 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL1669299 1.00 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL5375737 1.00 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10587414 1.00 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10587627 0.99 EHMT1 (0.71) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL10585105 0.96 EHMT1 (0.69) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL7236374 0.95 EHMT1 (0.63) EHMT1PRKACARXFP1AHCYMARS1
SCHEMBL6536155 0.93 PRKACA (0.67) EHMT1PRKACAAHCYMARS1DNPH1

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 2 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

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 EHMT1 547/4885PRKACA 1274/4885RXFP1 2566/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 EHMT1 547/4885PRKACA 1274/4885RXFP1 2566/4885

“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.