SCHEMBL20520937

SCHEMBL20520937

CCOC(=O)c1cn(CC2CCCN2CC)c2ncc(Br)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
OPRK1 P41145 6/20 0.43
HPGD P15428 4/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 2/20 0.38
PDE4B Q07343 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5962116 1.00 LMNA (0.48) LMNAOPRK1HPGDALDH1A1KDM4E
SCHEMBL5962115 1.00 LMNA (0.48) LMNAOPRK1HPGDALDH1A1KDM4E
SCHEMBL29705155 0.92 LMNA (0.48) LMNAOPRK1HPGDALDH1A1KDM4E
SCHEMBL20521008 0.88 HPGD (0.40) LMNAHPGDALDH1A1KDM4EKMT2A
SCHEMBL5962165 0.84 LMNA (0.48) LMNAOPRK1HPGDALDH1A1KDM4E
SCHEMBL5962162 0.84 LMNA (0.48) LMNAOPRK1HPGDALDH1A1KDM4E
SCHEMBL3706246 0.83 LMNA (0.48) LMNAOPRK1HPGDALDH1A1KDM4E
SCHEMBL3696586 0.83 LMNA (0.64) LMNAHPGDALDH1A1KDM4EKMT2A
SCHEMBL28735730 0.81 LMNA (0.46) LMNAOPRK1HPGDKMT2AMAPT
SCHEMBL5962085 0.79 LMNA (0.47) LMNAOPRK1HPGDALDH1A1KDM4E

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 8 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
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 LMNA 4174/4885OPRK1 198/4885HPGD 939/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 LMNA 4174/4885OPRK1 198/4885HPGD 939/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU LMNA 3950/4885OPRK1 231/4885HPGD 789/4885

“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.