SCHEMBL23794838

SCHEMBL23794838

CC1CN(C(=O)OC(C)(C)C)Cc2c[nH]nc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
MAPK1 P28482 1/20 0.41
NAMPT P43490 2/20 0.41
ESR2 Q92731 1/20 0.40
DDB1 Q16531 3/20 0.38
CRBN Q96SW2 3/20 0.38
ABHD6 Q9BV23 1/20 0.37
PREP P48147 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PDK2 Q15119 2/20 0.36
HDAC1 Q13547 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
SCHEMBL2970151 0.85 NR1H2 (0.41) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL8214051 0.84 NR1H2 (0.40) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL28970138 0.82 PDK2 (0.36) ABHD6PDK2
SCHEMBL2965453 0.80 NAMPT (0.39) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL31153634 0.78 MEN1 (0.42) NR1H2MAPK1ESR2
SCHEMBL29133404 0.77 ESR2 (0.46) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL29133372 0.77 ESR2 (0.46) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL30358680 0.77 ESR2 (0.46) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL2910381 0.77 ESR2 (0.46) NR1H2MAPK1NAMPTESR2DDB1
SCHEMBL31569102 0.77 MAPK1 (0.48) NR1H2MAPK1NAMPTESR2ABHD6

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 5 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
CN-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN 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
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 NR1H2 914/4885MAPK1 412/4885NAMPT 2484/4885

“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.