SCHEMBL20520979

SCHEMBL20520979

CCOC(=O)c1cn(C(C)(CO)CO)c2ncc(Br)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRK1 P41145 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 2/20 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
SCHEMBL20520767 0.83 LMNA (0.44) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL29705167 0.83 LMNA (0.44) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL21815626 0.82 LMNA (0.53) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL5962098 0.81 LMNA (0.46) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3696586 0.81 LMNA (0.64) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL20520988 0.81 LMNA (0.53) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL29705153 0.81 LMNA (0.53) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3693779 0.81 LMNA (0.55) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL20521331 0.80 OPRK1 (0.40) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3289956 0.79 LMNA (0.50) LMNAGABRA1GABRB1GABRA3GABRB2

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 4174/4885GABRA1 1408/4885GABRB1 1149/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 LMNA 4174/4885GABRA1 1408/4885GABRB1 1149/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU LMNA 3950/4885GABRA1 1329/4885GABRB1 1084/4885

“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.