SCHEMBL16633838

SCHEMBL16633838

C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CCNCC2)O1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 14/20 0.50
TLR7 Q9NYK1 14/20 0.50
TLR8 Q9NR97 13/20 0.50
ACVR1 Q04771 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
ACVRL1 P37023 1/20 0.36
NCF1 P14598 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
SCHEMBL25699825 1.00 TLR9 (0.50) TLR9TLR7TLR8ACVR1ALDH1A1
SCHEMBL16633840 1.00 TLR9 (0.50) TLR9TLR7TLR8ACVR1ALDH1A1
SCHEMBL16633393 0.93 TLR9 (0.48) TLR9TLR7TLR8ACVR1
SCHEMBL16633390 0.93 TLR9 (0.48) TLR9TLR7TLR8ACVR1
SCHEMBL16633088 0.92 TLR9 (0.49) TLR9TLR7TLR8ACVR1ALDH1A1
SCHEMBL16633703 0.92 TLR9 (0.47) TLR9TLR7TLR8ACVR1ALDH1A1
SCHEMBL16633089 0.92 TLR9 (0.49) TLR9TLR7TLR8ACVR1ALDH1A1
Trifluoroacetic Acid SCHEMBL21815347 0.92 TLR8 (0.46) TLR9TLR7TLR8ACVR1ALDH1A1
SCHEMBL24120530 0.92 TLR9 (0.49) TLR9TLR7TLR8ACVR1BMPR1B
SCHEMBL30382070 0.92 TLR9 (0.49) TLR9TLR7TLR8ACVR1BMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP claimed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US claimed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US claimed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US claimed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US claimed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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 (5 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-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA TLR9 439/4885TLR7 273/4885TLR8 1814/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 TLR9 1384/4885TLR7 906/4885TLR8 3666/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 TLR9 1479/4885TLR7 1122/4885TLR8 3693/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885

“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.