SCHEMBL21516371

SCHEMBL21516371

FC(F)(F)Oc1ccc(Nc2ncc(C(F)(F)F)nc2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.49
▸ ABL1 P00519 6/20 0.48
▸ BCR P11274 6/20 0.48
▸ DHODH Q02127 1/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ EGFR P00533 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 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
SCHEMBL21497143 0.76 CTSC (0.48) CTSCABL1BCRDHODHEPHX2
SCHEMBL6038480 0.72 CCR4 (0.55) AR
SCHEMBL21497152 0.72 PIN1 (0.43) EPHX2MEN1KMT2AHPGDHTT
SCHEMBL23163728 0.71 CTSC (0.44) CTSCABL1BCRIGF1RKMT2A
SCHEMBL5784957 0.70 MRGPRX4 (0.63) EPHX2MAPTSMN1; SMN2RAB9A
SCHEMBL29230393 0.69 HDAC3 (0.45) CTSCABL1BCREGFRAURKB
SCHEMBL30944965 0.69 HDAC3 (0.45) CTSCABL1BCREGFRAURKB
SCHEMBL17432138 0.68 MAPT (0.61) CTSCABL1BCRDHODHEPHX2
SCHEMBL21497147 0.68 KCNH2 (0.49) CTSCABL1BCRNPC1RAB9A
Hydrochloric Acid SCHEMBL8933839 0.67 EGFR (0.73) ABL1BCREGFRAURKBCHEK2

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 6 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
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
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
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

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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