SCHEMBL12849541

SCHEMBL12849541

CN(C)c1ncnc2c1ncn2CO[C@H](CO)CCO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ VCP P55072 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ AHCY P23526 1/20 0.36

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
SCHEMBL9584688 0.93 CYP1A2 (0.61) CYP1A2CYP2D6MAPK1MEN1ALDH1A1
SCHEMBL10814219 0.79 CYP1A2 (0.46) CYP1A2CYP2D6MAPK1MEN1ALDH1A1
SCHEMBL9583644 0.78 CYP1A2 (0.45) CYP1A2CYP2D6MAPK1MEN1ALDH1A1
SCHEMBL9583917 0.77 CYP1A2 (0.50) CYP1A2CYP2D6MAPK1
SCHEMBL9584499 0.75 CYP1A2 (0.46) CYP1A2CYP2D6MAPK1ALDH1A1LMNA
SCHEMBL10405635 0.75 BLM (0.56) CYP1A2CYP2D6MAPK1MEN1ALDH1A1
SCHEMBL9583977 0.74 CYP1A2 (0.40) CYP1A2CYP2D6MAPK1
SCHEMBL10816715 0.74 CYP2D6 (0.45) CYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL6903378 0.74 CYP1A2 (0.51) CYP1A2CYP2D6MAPK1
SCHEMBL4093935 0.73 ADORA2A (0.64) MEN1ALDH1A1LMNACYP3A4NFKB1

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-7897759-B2 Metabolically stable puromycin analogs MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-03-01 — — US disclosed
US-20090069556-A1 METABOLICALLY STABLE PUROMYCIN ANALOGS MEDICAL UNIVERSITY OF SOUTH CAROLINA 2009-03-12 — — 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-20090069556-A1 METABOLICALLY STABLE PUROMYCIN ANALOGS PDF, NPEPPS, RNMT CYP1A2 3469/4885CYP2D6 1123/4885MAPK1 1819/4885

“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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