SCHEMBL23218536

SCHEMBL23218536

CCOC(=O)Cc1ccccc1OCc1nn(-c2cccnc2)c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.44
TBXAS1 P24557 1/20 0.42
ELANE P08246 2/20 0.37
MAPK14 Q16539 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
LRRK2 Q5S007 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGER1 P34995 4/20 0.35
CYP1A2 P05177 1/20 0.35
JAK2 O60674 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 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
SCHEMBL29852495 1.00 CFD (0.44) CFDTBXAS1ELANEMAPK14PTGDR2
SCHEMBL29591918 0.91 CFD (0.47) CFDTBXAS1ELANEPTGDR2ALDH1A1
SCHEMBL29852637 0.91 CFD (0.47) CFDTBXAS1ELANEPTGDR2ALDH1A1
SCHEMBL23219069 0.91 CFD (0.47) CFDTBXAS1ELANEPTGDR2ALDH1A1
SCHEMBL29853144 0.91 CFD (0.46) CFDTBXAS1ELANEPTGDR2MEN1
SCHEMBL23218926 0.91 CFD (0.46) CFDTBXAS1ELANEPTGDR2MEN1
SCHEMBL28736177 0.89 LRRK2 (0.40) CFDMAPK14LRRK2MEN1KMT2A
SCHEMBL23219050 0.85 CFD (0.58) CFDTBXAS1
SCHEMBL29853051 0.85 CFD (0.58) CFDTBXAS1
SCHEMBL23218172 0.83 CFD (0.47) CFDTBXAS1ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 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 (1 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-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CFD 4300/4885TBXAS1 2067/4885ELANE 1630/4885

“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.