SCHEMBL29121983

SCHEMBL29121983

CCOC(=O)Cc1ccccc1OCc1c2cc(-c3ccnc(C#N)c3OC)ccc2nn1C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
CFD P00746 1/20 0.34
PIK3CD O00329 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.32
IGF1R P08069 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 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
SCHEMBL23218867 0.88 CFD (0.38) TBXAS1CFDPIK3CDPDCD1CD274
SCHEMBL29852529 0.88 CFD (0.38) TBXAS1CFDPIK3CDPDCD1CD274
SCHEMBL29340141 0.88 CFD (0.35) TBXAS1CFDALDH1A1KDM4EMAPT
SCHEMBL29852660 0.86 CFD (0.38) TBXAS1CFDPIK3CDEGFRPDCD1
SCHEMBL23218584 0.86 CFD (0.38) TBXAS1CFDPIK3CDEGFRPDCD1
SCHEMBL29121988 0.86 TBXAS1 (0.33) TBXAS1CFDALDH1A1KDM4EMAPT
SCHEMBL29122414 0.81 CFD (0.38) TBXAS1CFDALDH1A1KDM4EMAPT
SCHEMBL29122354 0.81 CFD (0.38) TBXAS1CFDALDH1A1KDM4EMAPT
SCHEMBL29121662 0.79 TBXAS1 (0.40) TBXAS1CFDALDH1A1KDM4EMAPT
SCHEMBL29339674 0.79 CFD (0.36) CFDEGFRICMT

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 2 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
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 TBXAS1 2084/4885CFD 3529/4885PIK3CD 1067/4885

“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.