SCHEMBL12510182

SCHEMBL12510182

O=Nc1nccn1Cc1cn(CCI)nn1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 20/20 0.39

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
SCHEMBL12510181 0.83 KCNH2 (0.32) KCNH2
SCHEMBL14043094 0.65 — —
SCHEMBL12427881 0.65 TYMP (0.43) KCNH2
SCHEMBL943184 0.65 TYMP (0.43) KCNH2
SCHEMBL941529 0.65 LMNA (0.46) KCNH2
SCHEMBL12427963 0.65 TYMP (0.43) KCNH2
SCHEMBL22057392 0.64 — —
SCHEMBL12231940 0.64 — —
SCHEMBL22057390 0.63 HRH4 (0.30) —
SCHEMBL13063786 0.62 KMT2A (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977361-B2 Nitro-imidazole hypoxia imaging agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-12 — — US disclosed
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-01-06 — — US disclosed
US-7807394-B2 Nitro-imidazole hypoxia imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-10-05 — — US disclosed
US-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-01-08 — — 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 (2 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-20090010846-A1 Nitro-Imidazole Hypoxia Imaging Agents HIF1AN, HIF1A, HYOU1 KCNH2 1049/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 KCNH2 1049/4885

“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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