SCHEMBL21314145

SCHEMBL21314145

O=C(O)c1cc2nn[nH]c2cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.44
▸ EGLN1 Q9GZT9 3/20 0.38
▸ NOTUM Q6P988 1/20 0.35
▸ SORT1 Q99523 3/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.33
▸ GRIK1 P39086 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL22446008 0.82 CFTR (0.42) NOTUMCACNA1HKDM4EALDH1A1
SCHEMBL2831954 0.81 HCAR2 (0.32) KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9167343 0.80 HCAR2 (0.31) —
SCHEMBL16962998 0.79 KDM4E (0.40) ASPHEGLN1HPGDKDM4EHAO1
SCHEMBL30807502 0.79 KDM4E (0.40) ASPHEGLN1HPGDKDM4EHAO1
SCHEMBL6052045 0.77 CA1 (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL13516591 0.77 GABRP (0.40) NOTUMHPGDKDM4EALDH1A1MEN1
SCHEMBL9173282 0.76 CA1 (0.36) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL18983913 0.76 KDM4E (0.40) ASPHEGLN1HPGDKDM4EHAO1
SCHEMBL21314035 0.73 CACNA1H (0.36) NOTUMCACNA1H

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-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 — — US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 — — US disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 — — EP disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 — — WO disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 — — WO disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP 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 (2 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-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ASPH 3282/4885EGLN1 1657/4885NOTUM 4205/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 ASPH 3990/4885EGLN1 3937/4885NOTUM 3405/4885

“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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