SCHEMBL21497157

SCHEMBL21497157

Oc1nccnc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.59
▸ TTBK1 Q5TCY1 1/20 0.50
▸ TTBK2 Q6IQ55 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SCN5A Q14524 1/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ ABL1 P00519 9/20 0.49
▸ BCR P11274 9/20 0.49
▸ EPHX2 P34913 2/20 0.48
▸ CTSC P53634 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ EIF2AK2 P19525 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL22543353 0.89 DHODH (0.62) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL21497177 0.79 EPHX2 (0.48) DHODHKCNH2SCN9AABL1BCR
SCHEMBL21497143 0.79 CTSC (0.48) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL26536628 0.76 FFAR4 (0.51) MEN1KMT2A
SCHEMBL3194551 0.75 MAPT (0.61) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL1923201 0.75 MAPT (0.61) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL15146260 0.74 MAPT (0.56) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL23607654 0.74 EPHX2 (0.56) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL30012613 0.74 EPHX2 (0.56) DHODHTTBK1TTBK2KCNH2SCN5A
SCHEMBL20553261 0.74 HPGD (0.63) DHODHTTBK1TTBK2KCNH2SCN5A

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 DHODH 3533/4885TTBK1 4065/4885TTBK2 3717/4885

“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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