SCHEMBL23868294

SCHEMBL23868294

C[C@H]1c2c[nH]nc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23868292 1.00 PARP1 (0.36) PARP1HTTMAPTKDM4ETHRB
SCHEMBL24069346 0.86 MEN1 (0.36) PARP1MAPTKDM4ETHRBNR1H2
SCHEMBL30403503 0.86 MEN1 (0.36) PARP1MAPTKDM4ETHRBNR1H2
SCHEMBL23794831 0.83 SMN1; SMN2 (0.37) HTTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL31424330 0.83 SMN1; SMN2 (0.37) HTTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL23794824 0.83 SMN1; SMN2 (0.37) HTTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL23794836 0.80 NR1H2 (0.39) PARP1MAPTKDM4ETHRBNR1H2
SCHEMBL34469189 0.79 L3MBTL1 (0.34) HTTMAPTNR1H2GPR119SMN1; SMN2
SCHEMBL34469029 0.79 L3MBTL1 (0.34) HTTMAPTNR1H2GPR119SMN1; SMN2
SCHEMBL31505424 0.78 MAP4K4 (0.38) PARP1MAPTNR1H2GPR119MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877388-B1 5-[6-[[3-(4,5,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDIN-1-YL)AZETIDIN-1-YL]METHYL]MORPHOLIN-4-YL]QUINOLINE-8-CARBONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS TLR7-9 ANTAGONISTS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS HOFFMANN LA ROCHE (CH) 2023-07-26 — — EP disclosed
US-20210300924-A1 5-[6-[[3-(4,5,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDIN-1-YL)AZETIDIN-1-YL]METHYL]MORPHOLIN-4-YL]QUINOLINE-8-CARBONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS TLR7-9 ANTAGONISTS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS HOFFMANN-LA ROCHE INC. (US) 2021-09-30 — — US 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-20210300924-A1 5-[6-[[3-(4,5,6,7-TETRAHYDROPYRAZOLO[4,3-C]PYRIDIN-1-YL)AZETIDIN-1-YL]METHYL]MORPHOLIN-4-YL]QUINOLINE-8-CARBONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS TLR7-9 ANTAGONISTS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS TLR7, TLR9, TLR8 PARP1 1032/4885HTT 3123/4885MAPT 4841/4885

“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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