SCHEMBL20419159

SCHEMBL20419159

Nc1ncnc2c1c(Br)cn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 12/20 0.83
▸ DOT1L Q8TEK3 5/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ GALR3 O60755 1/20 0.71
▸ S1PR4 O95977 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ S1PR1 P21453 1/20 0.71
▸ HTT P42858 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ PAX8 Q06710 1/20 0.71
▸ METTL3 Q86U44 2/20 0.64
▸ PRMT5 O14744 1/20 0.63
▸ PRMT3 O60678 1/20 0.63
▸ DNMT1 P26358 1/20 0.63
▸ NNMT P40261 1/20 0.63
▸ DPP4 P27487 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ SLC28A1 O00337 1/20 0.62
▸ MAP3K7 O43318 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
SCHEMBL20419275 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20938185 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL2786440 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL2786435 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20419193 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL20419187 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL30800099 1.00 ADK (0.83) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL8331254 0.91 ADK (1.00) ADKDOT1LMETTL3PRMT5PRMT3
SCHEMBL24293493 0.90 ADK (0.67) ADKDOT1LNPC1GALR3S1PR4
SCHEMBL31725326 0.90 ADK (0.71) ADKDOT1LNPC1GALR3S1PR4

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-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-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 — — 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 (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 4/4885DOT1L 1755/4885NPC1 4079/4885

“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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