SCHEMBL23219009

SCHEMBL23219009

COc1c(-c2ccc3c(c2)c(COc2ccccc2CC(=O)O)nn3C2CCCC2)ccnc1CN

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 10/20 0.37
ICMT O60725 4/20 0.37
F11 P03951 2/20 0.37
KLKB1 P03952 2/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
F7 P08709 1/20 0.37
TPSB2 P20231 1/20 0.37
FABP3 P05413 3/20 0.35
FABP4 P15090 3/20 0.35
CMKLR1 Q99788 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL29592607 1.00 CFD (0.37) CFDICMTF11KLKB1PLG
SCHEMBL23218276 0.98 CFD (0.37) CFDICMTF11KLKB1PLG
SCHEMBL29591772 0.98 CFD (0.37) CFDICMTF11KLKB1PLG
SCHEMBL29852871 0.92 CFD (0.43) CFDICMT
SCHEMBL23218853 0.92 CFD (0.43) CFDICMT
SCHEMBL23218580 0.91 CFD (0.43) CFDICMT
SCHEMBL29852454 0.91 CFD (0.43) CFDICMT
SCHEMBL29339713 0.85 ICMT (0.40) CFDICMTF11KLKB1PLG
SCHEMBL23219134 0.85 CFD (0.39) CFDICMTF11KLKB1PLG
SCHEMBL29592611 0.85 CFD (0.39) CFDICMTF11KLKB1PLG

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 6 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
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO 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 4826/4885F11 1832/4885

“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.