SCHEMBL29344822

SCHEMBL29344822

CCOC(=O)Cc1cc(COC)ccc1OCc1nn(C2CCCCC2)c2ccc(-c3ccc4ccnc(N)c4c3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.35
RET P07949 3/20 0.34
EGFR P00533 7/20 0.34
BTK Q06187 3/20 0.34
ESR1 P03372 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3CD O00329 3/20 0.33
ABL1 P00519 3/20 0.33
HCK P08631 3/20 0.33
SRC P12931 3/20 0.33
KDR P35968 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
MTOR P42345 3/20 0.33
PIK3CG P48736 3/20 0.33
EPHB4 P54760 3/20 0.33
PRKDC P78527 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
CMKLR1 Q99788 5/20 0.32
PPARD Q03181 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
SCHEMBL29346514 0.93 CFD (0.34) CFDEGFRBTKPIK3CDSRC
SCHEMBL29346431 0.90 TEAD1 (0.35) CFD
SCHEMBL29122253 0.90 CFD (0.35) CFDEGFRBTKESR1KCNH2
SCHEMBL29122676 0.90 CFD (0.43) CFDEGFRBTKESR1KCNH2
SCHEMBL29345314 0.90 CFD (0.35) CFD
SCHEMBL29345347 0.90 CFD (0.35) CFD
SCHEMBL29122867 0.89 KDM4E (0.36) CFDEGFRBTKESR1PIK3CD
SCHEMBL29122413 0.89 CFD (0.43) CFDEGFRBTKESR1KCNH2
SCHEMBL29122564 0.88 CFD (0.36) CFDEGFRBTKESR1KCNH2
SCHEMBL29122913 0.87 CFD (0.43) CFDEGFRBTKKCNH2

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 1 patent. 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

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 3529/4885RET 3003/4885EGFR 2168/4885

“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.