SCHEMBL29339674

SCHEMBL29339674

COc1c(-c2ccc3nn(C4CCC4)c(COc4ccccc4CC(=O)O)c3c2)ccnc1C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 8/20 0.36
ICMT O60725 5/20 0.35
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
F11 P03951 3/20 0.33
KLKB1 P03952 3/20 0.33
P2RX3 P56373 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
F7 P08709 1/20 0.33
TPSB2 P20231 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
MAP4K4 O95819 1/20 0.33
EGFR P00533 2/20 0.32
BTK Q06187 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
SCHEMBL29122561 0.92 MAPT (0.32) CFDICMTPTGER1PTGER4PTGER3
SCHEMBL29340141 0.92 CFD (0.35) CFDICMTMAP4K4EGFRBTK
SCHEMBL29343491 0.89 ICMT (0.33) ICMTEGFRBTK
SCHEMBL29121988 0.84 TBXAS1 (0.33) CFDEGFRBTK
SCHEMBL29343488 0.82 EGFR (0.30) EGFRBTK
SCHEMBL29123047 0.81 CFD (0.38) CFDICMTMAP4K4EGFRBTK
SCHEMBL29339654 0.81 CFD (0.42) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL29122360 0.81 CFD (0.41) CFDPTGER1PTGER4PTGER3PTGER2
SCHEMBL29339661 0.81 CFD (0.40) CFDICMTPTGER1PTGER4PTGER3
SCHEMBL29122140 0.80 CFD (0.41) CFDPTGER1PTGER4PTGER3PTGER2

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
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 3529/4885ICMT 4826/4885PTGER1 2922/4885

“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.