SCHEMBL21497136

SCHEMBL21497136

Oc1nc(-c2ccc(C(F)(F)F)cc2)cnc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.44
▸ ABL1 P00519 5/20 0.44
▸ BCR P11274 5/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ CTSC P53634 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ TTBK1 Q5TCY1 1/20 0.40
▸ TTBK2 Q6IQ55 1/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ SMO Q99835 1/20 0.40

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
SCHEMBL21515892 0.86 CTSC (0.48) TRPV1ABL1BCRALOX5CTSC
SCHEMBL21497143 0.80 CTSC (0.48) ABL1BCRCTSCMAPTDHODH
SCHEMBL21497157 0.73 DHODH (0.59) ABL1BCRCTSCMAPTDHODH
SCHEMBL21499943 0.70 EPHX2 (0.49) ABL1BCRALOX5CTSCMAPT
SCHEMBL1416502 0.70 KIF11 (0.51) TRPV1MAPTSCN10A
SCHEMBL10989192 0.68 TRPV1 (0.54) TRPV1
SCHEMBL21497177 0.68 EPHX2 (0.48) ABL1BCRDHODH
SCHEMBL21499858 0.68 EPHX2 (0.52) ABL1BCRCTSCMAPTDHODH
SCHEMBL22543353 0.68 DHODH (0.62) ABL1BCRCTSCMAPTDHODH
SCHEMBL1921523 0.67 KIF11 (0.61) ABL1BCRALOX5MAPTCHRNA7

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-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
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 TRPV1 1102/4885ABL1 2636/4885BCR 1478/4885

“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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