SCHEMBL21497152

SCHEMBL21497152

FC(F)(F)c1cnc(Cl)c(OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MGMT P16455 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL21380878 0.77 PIN1 (0.46) PIN1ALDH1A1L3MBTL1PDE5ASLC6A4
SCHEMBL29565195 0.77 PIN1 (0.46) PIN1ALDH1A1L3MBTL1PDE5ASLC6A4
SCHEMBL22851668 0.75 MRGPRX4 (0.43) PIN1L3MBTL1MRGPRX4SLC6A4MAPK1
SCHEMBL31304967 0.75 TRPV1 (0.43) PIN1ALDH1A1L3MBTL1MRGPRX4PDE5A
SCHEMBL18338730 0.73 PIN1 (0.56) PIN1L3MBTL1MRGPRX4PDE5ASLC6A4
SCHEMBL2531398 0.72 TRPV1 (0.46) PIN1L3MBTL1PDE5AMGMTCDK1
SCHEMBL21516371 0.72 CTSC (0.49) HPGDHTTEPHX2MEN1KMT2A
SCHEMBL2527923 0.71 MAOB (0.48) L3MBTL1SLC6A4CNR1TRPV1
SCHEMBL15133693 0.71 L3MBTL1 (0.42) PIN1ALDH1A1L3MBTL1MRGPRX4PDE5A
SCHEMBL1970895 0.71 POLB (0.47) PIN1ALDH1A1L3MBTL1PDE5ASLC6A4

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 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 PIN1 3155/4885ALDH1A1 650/4885L3MBTL1 1532/4885

“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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