SCHEMBL21497143

SCHEMBL21497143

Oc1nc(C(F)(F)F)cnc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.48
▸ ABL1 P00519 8/20 0.47
▸ BCR P11274 8/20 0.47
▸ DHODH Q02127 2/20 0.47
▸ TTBK1 Q5TCY1 1/20 0.45
▸ TTBK2 Q6IQ55 1/20 0.45
▸ EIF2AK2 P19525 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ KCNH2 Q12809 2/20 0.42
▸ SCN5A Q14524 2/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL21497136 0.80 TRPV1 (0.44) CTSCABL1BCRDHODHTTBK1
SCHEMBL21497157 0.79 DHODH (0.59) CTSCABL1BCRDHODHTTBK1
SCHEMBL21516371 0.76 CTSC (0.49) CTSCABL1BCRDHODHTTBK1
SCHEMBL21497147 0.74 KCNH2 (0.49) CTSCABL1BCRTTBK1TTBK2
SCHEMBL21499858 0.73 EPHX2 (0.52) CTSCABL1BCRDHODHTTBK1
SCHEMBL22543353 0.73 DHODH (0.62) CTSCABL1BCRDHODHTTBK1
SCHEMBL21497192 0.72 EIF2AK2 (0.44) CTSCABL1BCRDHODHTTBK1
SCHEMBL29873396 0.72 EIF2AK2 (0.44) CTSCABL1BCRDHODHTTBK1
SCHEMBL21499943 0.70 EPHX2 (0.49) CTSCABL1BCRDHODHTTBK1
SCHEMBL1923201 0.70 MAPT (0.61) ABL1BCRDHODHTTBK1TTBK2

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 7 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
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 CTSC 3218/4885ABL1 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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