SCHEMBL21497150

SCHEMBL21497150

Oc1cccnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.56
▸ TLR7 Q9NYK1 1/20 0.50
▸ BRD4 O60885 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ UGT1A1 P22309 1/20 0.47
▸ PTGS1 P23219 1/20 0.47

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
SCHEMBL21497137 0.83 LMNA (0.67) TLR7BRD4LMNAMEN1KMT2A
SCHEMBL22542860 0.81 EPHX2 (0.54) EPHX2MEN1KMT2ATDP1DHODH
SCHEMBL25339285 0.81 EPHX2 (0.56) EPHX2MEN1KMT2ATDP1RAB9A
SCHEMBL24879902 0.81 EPHX2 (0.56) EPHX2LMNAMEN1KMT2ATDP1
SCHEMBL30114249 0.81 EPHX2 (0.56) EPHX2LMNAMEN1KMT2ATDP1
SCHEMBL21497177 0.80 EPHX2 (0.48) EPHX2MEN1KMT2ATDP1DHODH
SCHEMBL4810326 0.80 RAB9A (0.56) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL11971210 0.79 DHODH (0.61) MEN1KMT2AALDH1A1DHODHRAB9A
SCHEMBL23388857 0.79 DHODH (0.74) EPHX2LMNAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL4813485 0.78 RAB9A (0.55) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253538-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 — — US claimed
EP-3781165-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 — — EP claimed
CN-112261941-A Aminopyrazines and related compounds useful as mitochondrial uncouplers 弗吉尼亚理工大学知识产权有限公司 2021-01-22 — — CN claimed
WO-2019204819-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 — — WO claimed
US-20210253538-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 — — US disclosed
US-20210253538-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 — — US disclosed
EP-3781165-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 — — EP disclosed
CN-112261941-A Aminopyrazines and related compounds useful as mitochondrial uncouplers 弗吉尼亚理工大学知识产权有限公司 2021-01-22 — — CN disclosed
WO-2019204819-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 — — WO disclosed
WO-2019204819-A1 AMINOPYRAZINES AND RELATED COMPOUNDS 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 (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-20210253538-A1 AMINOPYRAZINES AND RELATED COMPOUNDS USEFUL AS MITOCHONDRIAL UNCOUPLERS GLS2, NDUFAF1, NDUFAB1 EPHX2 4687/4885TLR7 1472/4885BRD4 3794/4885

“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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