SCHEMBL13349028

SCHEMBL13349028

Nc1ncnc2c1c(I)cn2[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 13/20 0.53
▸ MTOR P42345 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HASPIN Q8TF76 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.42
▸ STING1 Q86WV6 1/20 0.42
▸ DYRK3 O43781 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PHKG2 P15735 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ MARK3 P27448 1/20 0.41

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
SCHEMBL12993150 1.00 ADK (0.53) ADKMTORRAB9AHASPINALDH1A1
SCHEMBL13065176 1.00 ADK (0.53) ADKMTORRAB9AHASPINALDH1A1
SCHEMBL10266132 0.87 ADK (0.54) ADKRAB9AALDH1A1LMNAALB
SCHEMBL19120374 0.87 ADK (0.54) ADKRAB9AALDH1A1LMNAALB
SCHEMBL23641741 0.87 ADK (0.43) ADKALDH1A1LMNAALBMAPK1
SCHEMBL20938334 0.86 METTL3 (0.43) ADKRAB9AALDH1A1LMNAALB
SCHEMBL18571875 0.86 ADK (0.53) ADKALDH1A1LMNAALBMAPK1
SCHEMBL887898 0.86 ADK (0.58) ADKALDH1A1LMNAALBMAPK1
SCHEMBL13065028 0.86 ADK (0.53) ADKALDH1A1LMNAALBMAPK1
SCHEMBL20938430 0.84 PRMT5 (0.46) ADKRAB9AALDH1A1LMNAALB

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-20230160849-A1 Engineered DNA for Molecular Electronics UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2023-05-25 — — US disclosed
EP-4137499-A1 7-SUBSTITUTED 7-DEAZAADENINE-CONTAINING 2,3 -CYCLIC DINUCLEOTIDES Ustav organicke chemie a biochemie AV CR, v.v.i. (CZ) 2023-02-22 — — EP disclosed
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
WO-2021102367-A1 ENGINEERED DNA FOR MOLECULAR ELECTRONICS UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2021-05-27 — — WO disclosed
EP-1905829-A2 Templated molecules and methods for using such molecules Nuevolution A/S (DK) 2008-04-02 — — 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 (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 ADK 4/4885MTOR 1440/4885RAB9A 4290/4885

“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.

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