SCHEMBL20419157

SCHEMBL20419157

Nc1ncnc2c1cc(Br)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.61
▸ HSPA8 P11142 2/20 0.61
▸ CDK1 P06493 2/20 0.59
▸ CDK2 P24941 2/20 0.59
▸ CCNB1 P14635 1/20 0.59
▸ CCNA2 P20248 1/20 0.59
▸ CCNA1 P78396 1/20 0.59
▸ ADK P55263 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GAPDH P04406 2/20 0.56
▸ DOT1L Q8TEK3 2/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ SLC28A1 O00337 1/20 0.56
▸ MAP3K7 O43318 1/20 0.56
▸ SLC28A2 O43868 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56

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
SCHEMBL1740449 0.88 HSPA5 (0.63) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL6380760 0.86 HSPA8 (0.61) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL20419330 0.83 HSPA8 (0.58) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL20419169 0.83 HSPA8 (0.58) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL17918401 0.81 HSPA8 (0.55) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL6840004 0.80 HSPA8 (0.60) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL20917327 0.79 RAPGEF3 (0.49) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL20419191 0.79 RAPGEF3 (0.49) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL20419165 0.79 RAPGEF3 (0.49) HSPA5HSPA8CDK1CDK2CCNB1
SCHEMBL12030991 0.79 NADK (0.79) HSPA5HSPA8SMN1; SMN2GAPDHDOT1L

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 HSPA5 4535/4885HSPA8 4447/4885CDK1 49/4885

“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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