SCHEMBL29123263

SCHEMBL29123263

CCOC(=O)Cc1ccccc1OCc1nn(CC2CNC2)c2ccc(-c3ccc4ccnc(N)c4c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
TBXAS1 P24557 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
AHR P35869 1/20 0.34
HPGD P15428 3/20 0.34
DHFR P00374 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ICMT O60725 2/20 0.32
PRMT5 O14744 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
SCHEMBL29122050 0.92 CFD (0.44) CFDTBXAS1KCNH2ALDH1A1KDM4E
SCHEMBL29121669 0.91 CFD (0.37) CFDKCNH2ROCK2
SCHEMBL29121946 0.90 CFD (0.43) CFDTBXAS1KCNH2ALDH1A1DHFR
SCHEMBL29123168 0.89 CFD (0.42) CFDTBXAS1ALDH1A1KDM4EMAPT
SCHEMBL29122218 0.89 CFD (0.46) CFDTBXAS1ALDH1A1KDM4EMAPT
SCHEMBL29122351 0.88 CFD (0.41) CFDTBXAS1ALDH1A1KDM4EMAPT
SCHEMBL29122224 0.88 CFD (0.41) CFDTBXAS1ALDH1A1KDM4EMAPT
SCHEMBL29122545 0.88 CFD (0.45) CFDTBXAS1ALDH1A1KDM4EMAPT
SCHEMBL29121832 0.87 CFD (0.40) CFDTBXAS1ALDH1A1KDM4EMAPT
SCHEMBL29122314 0.87 CFD (0.47) CFDTBXAS1ALDH1A1KDM4EMAPT

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 3529/4885TBXAS1 2084/4885KCNH2 1208/4885

“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.