SCHEMBL20520904

SCHEMBL20520904

CC(C)(C)OC(=O)NCc1c[nH]nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1C Q13936 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GFER P55789 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
KDM4A O75164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNA5 P22460 1/20 0.37
CYP1A2 P05177 1/20 0.37
PARP1 P09874 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL21503265 0.81 KDM4E (0.47) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL20521581 0.81 P2RX7 (0.36) CYP1A2POLB
SCHEMBL18360305 0.75 CACNA1H (0.42) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL24423925 0.73 CACNA1H (0.43) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL20269087 0.72 KDM4E (0.39) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL20268244 0.72 KDM4E (0.39) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL20380317 0.71 LMNA (0.59) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL6014787 0.71 KDM5B (0.34) KDM4E
SCHEMBL7357761 0.71 KCNA5 (0.45) CACNA1HCACNA1BCACNA1CLMNAKDM4E
SCHEMBL6818984 0.71 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CLMNAKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887371-B1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
EP-3887371-B1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
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
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3887371-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 EP disclosed
CN-113166144-A Aryl compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-23 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-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
WO-2020109191-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 WO disclosed
WO-2020109191-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 WO 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
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 (4 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 CACNA1H 2754/4885CACNA1B 2040/4885CACNA1C 2480/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 CACNA1H 2754/4885CACNA1B 2040/4885CACNA1C 2480/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU CACNA1H 2631/4885CACNA1B 1805/4885CACNA1C 2199/4885
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION CFTR, QDPR, FPR1 CACNA1H 3423/4885CACNA1B 2718/4885CACNA1C 2665/4885

“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.