SCHEMBL12510334

SCHEMBL12510334

O=Nc1nccn1CC(=O)NCc1cn(CCI)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ FNTA P49354 4/20 0.37
▸ FNTB P49356 4/20 0.37
▸ GLS O94925 4/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ALOX15 P16050 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ YWHAG P61981 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL12510182 0.80 KCNH2 (0.39) —
SCHEMBL14043067 0.76 MAPK1 (0.42) MAPK1FNTAFNTBGLSCYP3A4
SCHEMBL941683 0.72 LMNA (0.61) MAPK1FNTAFNTBGLSCYP3A4
SCHEMBL942527 0.72 CYP3A4 (0.56) MAPK1FNTAFNTBGLSCYP3A4
SCHEMBL13104167 0.72 CYP3A4 (0.56) MAPK1FNTAFNTBGLSCYP3A4
SCHEMBL14045513 0.70 LMNA (0.45) CYP3A4CYP2D6OPRK1KDM4ELMNA
SCHEMBL14045542 0.68 LMNA (0.38) CYP3A4CYP2D6OPRK1KDM4ELMNA
SCHEMBL12510181 0.68 KCNH2 (0.32) —
SCHEMBL14043068 0.66 MMP2 (0.46) MAPK1ALDH1A1CA12CA1CA2
SCHEMBL17369045 0.64 GLS (0.45) FNTAFNTBGLSKDM4ELMNA

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 MAPK1 1822/4885FNTA 3056/4885FNTB 1739/4885
US-20110002850-A1 Nitro-Imidazole Hypoxia Imaging Agent HIF1AN, HIF1A, HYOU1 MAPK1 1801/4885FNTA 3068/4885FNTB 1771/4885

“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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