SCHEMBL21815554

SCHEMBL21815554

O=C(Cl)c1cc(Br)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
DGAT1 O75907 1/20 0.35
CES2 O00748 1/20 0.34
GALR3 O60755 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLAU P00749 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
NAPRT Q6XQN6 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL29498804 0.82 NAPRT (0.46) ALDH1A1DGAT1KDM4EPOLBHCAR2
SCHEMBL1516793 0.82 NAPRT (0.46) ALDH1A1DGAT1KDM4EPOLBHCAR2
SCHEMBL26023823 0.82 DGAT1 (0.36) ALDH1A1ALOX15DGAT1CES2GALR3
SCHEMBL31356591 0.81 OPRK1 (0.42) ALDH1A1DGAT1CYP1A2KDM4EPOLB
SCHEMBL9648890 0.81 OPRK1 (0.42) ALDH1A1DGAT1CYP1A2KDM4EPOLB
SCHEMBL25335179 0.81 DGAT1 (0.52) ALDH1A1DGAT1CASP1PLAUKDM4E
SCHEMBL983160 0.78 PLAU (0.37) ALDH1A1CASP1PLAUKDM4EELANE
SCHEMBL31178384 0.78 DGAT1 (0.33) ALDH1A1DGAT1KDM4EPOLBHCAR2
SCHEMBL25317296 0.78 DGAT1 (0.33) ALDH1A1DGAT1KDM4EPOLBHCAR2
SCHEMBL31356584 0.78 GSK3B (0.37) ALDH1A1DGAT1KDM4EPOLBHCAR2

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-4229054-B1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE HOFFMANN LA ROCHE (CH) 2024-09-04 EP disclosed
EP-4229054-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE F. Hoffmann-La Roche AG (CH) 2023-08-23 EP disclosed
US-20230242553-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US disclosed
US-20230242553-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US disclosed
US-20230242553-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US disclosed
EP-3856747-B1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-07-19 EP disclosed
EP-3856747-B1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-07-19 EP disclosed
CN-116406365-A Process for the preparation of 1-methyl-6- [ 6-R2-5-methyl-8- (methylamino) -4- [ (3 aS,6 aS) -5-methyl-2, 3a,4,6 a-hexahydropyrrolo [2,3-c ] pyrrol-1-yl ] -9H-pyrido [2,3-b ] indol-3-yl ] -4-oxo-1, 8-naphthyridine-3-carboxylic acid hydrochloride 豪夫迈·罗氏有限公司 2023-07-07 CN disclosed
WO-2022078923-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE F. HOFFMANN-LA ROCHE AG (CH) 2022-04-21 WO disclosed
WO-2022078923-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE F. HOFFMANN-LA ROCHE AG (CH) 2022-04-21 WO disclosed
US-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
EP-3883937-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-09-29 EP disclosed
EP-3856747-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
CN-113166174-A Free amino compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
US-20210221832-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-07-22 US disclosed
CN-112752762-A Substituted pyridoindoles for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
WO-2020064661-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO disclosed
CN-102675237-A 2, 4-diphenyl oxazoline new compound, synthetic method and acaricidal activity thereof NANJING UNIVERSITY OF TECHNOLOGY 2012-09-19 CN 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-20230242553-A1 PROCESS FOR THE PREPARATION OF 1-METHYL-6-[6-R2-5-METHYL-8-(METHYLAMINO)-4-[ (3AS,6AS)-5-METHYL-2,3,3A,4,6,6A-HEXAHYDROPYRROLO[2,3-C]PYRROL-1-YL]-9H-PYRIDO[2,3-B]INDOL-3-YL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE CYP2S1, PYCR1, CHRM1 ALDH1A1 553/4885ALOX15 3532/4885DGAT1 4784/4885
US-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION ARG1, PNISR, ARGLU1 ALDH1A1 2410/4885ALOX15 1510/4885DGAT1 4525/4885
US-20210221832-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION BLVRB, PNPO, IL17A ALDH1A1 1121/4885ALOX15 307/4885DGAT1 4610/4885

“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.