SCHEMBL21497197

SCHEMBL21497197

Nc1nc(OCc2ccccc2)c(Br)nc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 4/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ CCNB1 P14635 2/20 0.50
▸ CCNA2 P20248 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ CCNA1 P78396 2/20 0.50
▸ CYP3A4 P08684 2/20 0.48
▸ MPO P05164 2/20 0.48
▸ TPO P07202 1/20 0.48
▸ EPX P11678 1/20 0.48
▸ LTA4H P09960 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ATP4A P20648 1/20 0.45
▸ ATP4B P51164 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL557629 0.77 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL29364376 0.77 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL25345378 0.77 MGMT (0.50) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL6358672 0.77 MGMT (0.66) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL17597368 0.74 MGMT (0.46) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL24215176 0.72 L3MBTL1 (0.47) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL669089 0.72 MGMT (0.52) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL31093748 0.72 L3MBTL1 (0.48) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL31394965 0.72 SMN1; SMN2 (0.50) MPOLTA4HMAPK14L3MBTL1MAOB
SCHEMBL6244167 0.72 LTA4H (0.61) MGMTCDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 — — US disclosed
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 — — US disclosed
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 — — US disclosed
EP-3781567-B1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES INC (US) 2022-08-24 — — EP disclosed
US-20210238181-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2021-08-05 — — US disclosed
US-20210238181-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2021-08-05 — — US disclosed
EP-3781567-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 — — EP disclosed
WO-2019204816-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 — — WO disclosed
WO-2019204816-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 — — 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 (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-20210238181-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS GLS2, NDUFAF1, NDUFAB1 MGMT 3868/4885CDK1 2676/4885CCNB1 1137/4885
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers NDUFAF1, NDUFAB1, GLS2 MGMT 3572/4885CDK1 2347/4885CCNB1 1095/4885

“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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