SCHEMBL23769405

SCHEMBL23769405

CCOC(=O)c1cc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C(F)F)no1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.40
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CA P42336 1/20 0.32
POLB P06746 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL23769404 0.89 KLKB1 (0.40) KLKB1KDM4EHSD17B10PIK3CAPOLB
SCHEMBL23769694 0.89 KLKB1 (0.39) KLKB1TRPA1KDM4EPIK3CAPOLB
SCHEMBL23769506 0.88 MAPT (0.34) KLKB1TRPA1KDM4EPDE10A
SCHEMBL23769464 0.88 KLKB1 (0.33) KLKB1TRPA1PDE10A
SCHEMBL23769352 0.87 KLKB1 (0.40) KLKB1TRPA1
SCHEMBL23768962 0.87 KLKB1 (0.34) KLKB1TRPA1PIK3CAPDE10A
SCHEMBL23769297 0.87 KLKB1 (0.34) KLKB1TRPA1KDM4EPIK3CAPDE10A
SCHEMBL23769302 0.82 ADORA3 (0.34) TRPA1KDM4EHSD17B10PDE10A
SCHEMBL23843116 0.82 ADORA3 (0.34) TRPA1KDM4EHSD17B10PDE10A
SCHEMBL23843172 0.81 PDE10A (0.33) KLKB1PIK3CAPDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 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 (2 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TRPA1 3271/4885KDM4E 331/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885TRPA1 3271/4885KDM4E 331/4885

“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.