SCHEMBL23982207

SCHEMBL23982207

OC[C@@H]1CC[C@H](n2cnc3c(Nc4cccc(O)c4)ncnc32)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PRKAG3 Q9UGI9 1/20 0.52
▸ PRKAG2 Q9UGJ0 1/20 0.52
▸ PRKAB1 Q9Y478 1/20 0.52
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SLC29A1 Q99808 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL29605671 0.86 PRKAB2 (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Phenol SCHEMBL27699602 0.82 ABL1 (0.52) LMNAALDH1A1MAPK1ALBABL1
SCHEMBL2041441 0.79 YTHDC1 (0.59) LMNAALDH1A1MAPK1ALBABL1
SCHEMBL20419240 0.79 ALDH1A1 (0.57) LMNAALDH1A1MAPK1ALBABL1
SCHEMBL29318369 0.79 YTHDC1 (0.59) LMNAALDH1A1MAPK1ALBABL1
SCHEMBL20419138 0.79 LMNA (0.80) LMNAALDH1A1MAPK1GLAPMP22
SCHEMBL23982343 0.79 LMNA (0.80) LMNAALDH1A1MAPK1GLAPMP22
SCHEMBL27992038 0.79 LMNA (0.80) LMNAALDH1A1MAPK1GLAPMP22
SCHEMBL23637142 0.79 ADORA1 (0.51) LMNAALDH1A1MAPK1GLAPMP22
SCHEMBL18696325 0.79 ADORA1 (0.51) LMNAALDH1A1MAPK1GLAPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 — — 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 (1 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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A PRKAB2 227/4885PRKAG1 242/4885PRKAA2 274/4885

“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.

Send feedback