SCHEMBL20520865

SCHEMBL20520865

CCOC(=O)c1cn(N(C(=O)OC(C)(C)C)C2CCOCC2)c2ncc(Br)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.47
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
OPRK1 P41145 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL23644684 0.89 PDE4B (0.35) PDE4BOPRK1
SCHEMBL20520654 0.89 PDE4B (0.46) PDE4BHSD17B10USP2TP53MAPK1
SCHEMBL29705143 0.89 PDE4B (0.46) PDE4BHSD17B10USP2TP53MAPK1
SCHEMBL23646765 0.83 LMNA (0.44) PDE4BLMNARXFP1HSD17B10TP53
SCHEMBL20521542 0.80 PDE4B (0.36) PDE4B
SCHEMBL20521062 0.79 LMNA (0.43) PDE4BLMNARXFP1HSD17B10MAPK1
SCHEMBL20520911 0.79 LMNA (0.41) LMNARXFP1HSD17B10TP53MAPK1
SCHEMBL29705175 0.79 LMNA (0.43) PDE4BLMNARXFP1HSD17B10MAPK1
SCHEMBL3289956 0.77 LMNA (0.50) PDE4BLMNARXFP1HSD17B10TP53
SCHEMBL20240770 0.75 LMNA (0.46) LMNAHSD17B10MAPK1KDM4EALDH1A1

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
CN-110475777-B Novel pyrido [2,3-b ] indole compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2022-04-15 CN disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US disclosed
EP-3601282-A1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
WO-2018178041-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection F. HOFFMANN-LA ROCHE AG (CH) 2018-10-04 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 (3 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-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 PDE4B 1217/4885LMNA 4174/4885RXFP1 38/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 PDE4B 1217/4885LMNA 4174/4885RXFP1 38/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU PDE4B 1349/4885LMNA 3950/4885RXFP1 70/4885

“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.