SCHEMBL29345883

SCHEMBL29345883

COCCCOC(=O)Cc1ccccc1OCc1nn(C2CCC2)c2ncc(-c3ccc4ccnc(N)c4c3)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.35
BTK Q06187 10/20 0.35
CFD P00746 1/20 0.33
ERBB2 P04626 1/20 0.33
IGF1R P08069 1/20 0.33
CYP2D6 P10635 1/20 0.33
RET P07949 2/20 0.32
KDR P35968 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 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
SCHEMBL29340562 0.91 CFD (0.41) EGFRBTKCFDERBB2IGF1R
SCHEMBL29345863 0.88 CFD (0.36) CFDRETKDR
SCHEMBL29121970 0.87 CFD (0.37) EGFRBTKCFD
SCHEMBL29346359 0.84 CFD (0.36) CFD
SCHEMBL29122913 0.83 CFD (0.43) EGFRBTKCFDERBB2IGF1R
SCHEMBL29122413 0.81 CFD (0.43) EGFRBTKCFDERBB2IGF1R
SCHEMBL29340566 0.81 CFD (0.40) EGFRBTKCFDERBB2IGF1R
SCHEMBL29122676 0.81 CFD (0.43) EGFRBTKCFDERBB2IGF1R
SCHEMBL29121925 0.80 CFD (0.44) EGFRCFDERBB2IGF1R
SCHEMBL30676378 0.79 CFD (0.44) CFD

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 EGFR 2168/4885BTK 2885/4885CFD 3529/4885

“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.