SCHEMBL23794824

SCHEMBL23794824

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL31424330 1.00 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EKMT2ANPC1POLB
SCHEMBL23794831 1.00 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EKMT2ANPC1POLB
SCHEMBL29183782 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL28696568 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL23868292 0.83 PARP1 (0.36) SMN1; SMN2KDM4ENPC1ALDH1A1HTT
SCHEMBL23868294 0.83 PARP1 (0.36) SMN1; SMN2KDM4ENPC1ALDH1A1HTT
SCHEMBL30403503 0.71 MEN1 (0.36) KDM4EKMT2AMEN1MAPK1
SCHEMBL24069346 0.71 MEN1 (0.36) KDM4EKMT2AMEN1MAPK1
SCHEMBL23327000 0.71 KDM4E (0.36) SMN1; SMN2KDM4EKMT2ANPC1POLB
SCHEMBL31050341 0.70 PSEN1 (0.38) SMN1; SMN2KDM4EKMT2ANPC1POLB

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 3 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
EP-3877388-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 F. Hoffmann-La Roche AG (CH) 2021-09-15 — — 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 (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 SMN1; SMN2 4577/4885KDM4E 572/4885KMT2A 936/4885

“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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