SCHEMBL17364601

SCHEMBL17364601

CCc1nc(Cl)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21736903 0.82 KDM4E (0.43) S1PR4CYP1A2MEN1ALDH1A1LMNA
SCHEMBL1506464 0.80
SCHEMBL17558629 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1268660 0.78 GABRP (0.52) CYP1A2CYP2D6CYP2C9MEN1SLC22A1
SCHEMBL30381289 0.78 PDCD1 (0.34)
SCHEMBL25295311 0.78 PDCD1 (0.34)
SCHEMBL31456695 0.78 SIRT2 (0.31)
SCHEMBL12250661 0.77 CRHBP (0.39) S1PR4CYP1A2CYP2D6CYP2C9MEN1
SCHEMBL19715811 0.77 CCR4 (0.31) GABRA1GABRB2CCR4
SCHEMBL29411799 0.77 CCR4 (0.31) GABRA1GABRB2CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US disclosed
CN-116323589-A Pyridone compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
EP-4192822-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP disclosed
EP-4192588-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP disclosed
CN-115835911-A Imidazo [1,2-a ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US 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 (2 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-20230295109-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE PNPO, PDXK, C5 S1PR4 55/4885CYP1A2 552/4885CYP2D6 479/4885
US-20230279001-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, CNKSR1, UACA S1PR4 232/4885CYP1A2 534/4885CYP2D6 1170/4885

“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.