SCHEMBL29121850

SCHEMBL29121850

CCOC(=O)Cc1ccccc1OCc1nn(C(=O)OCC)c2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
ELANE P08246 6/20 0.46
TBXAS1 P24557 1/20 0.43
PTGER1 P34995 6/20 0.39
JAK2 O60674 1/20 0.39
PAK4 O96013 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
GRK5 P34947 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39

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
SCHEMBL29591729 0.89 CFD (0.47) CFDELANETBXAS1PTGER1JAK2
SCHEMBL23218172 0.89 CFD (0.47) CFDELANETBXAS1PTGER1JAK2
SCHEMBL29122620 0.89 CFD (0.47) CFDELANETBXAS1PTGER1JAK2
SCHEMBL29852929 0.87 CFD (0.46) CFDELANETBXAS1PTGER1JAK2
SCHEMBL29852637 0.87 CFD (0.47) CFDELANETBXAS1PTGER1JAK2
SCHEMBL29591752 0.87 CFD (0.46) CFDELANETBXAS1PTGER1JAK2
SCHEMBL23219066 0.87 CFD (0.46) CFDELANETBXAS1PTGER1JAK2
SCHEMBL23219069 0.87 CFD (0.47) CFDELANETBXAS1PTGER1JAK2
SCHEMBL29591918 0.87 CFD (0.47) CFDELANETBXAS1PTGER1JAK2
SCHEMBL29122101 0.87 CFD (0.46) CFDELANETBXAS1PTGER1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 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 (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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CFD 3529/4885ELANE 110/4885TBXAS1 2084/4885

“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.