SCHEMBL23769169

SCHEMBL23769169

CCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cnc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.48
KDM4E B2RXH2 1/20 0.33
PLA2G4A P47712 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
RBP4 P02753 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
SCHEMBL23769234 0.92 KLKB1 (0.47) KLKB1KDM4EPLA2G4ASMYD3
SCHEMBL23769228 0.91 KLKB1 (0.47) KLKB1RBP4
SCHEMBL23769231 0.90 KLKB1 (0.47) KLKB1KDM4E
SCHEMBL23769289 0.89 KLKB1 (0.48) KLKB1KDM4E
SCHEMBL21736742 0.88 KLKB1 (0.51) KLKB1KDM4E
SCHEMBL23769331 0.88 KLKB1 (0.49) KLKB1KDM4ERBP4
SCHEMBL23769168 0.87 KLKB1 (0.46) KLKB1KDM4ERBP4
SCHEMBL23843107 0.86 KLKB1 (0.49) KLKB1KDM4EPLA2G4ASMYD3RBP4
SCHEMBL23769644 0.86 KLKB1 (0.48) KLKB1KDM4ERBP4
SCHEMBL23769220 0.86 KLKB1 (0.48) KLKB1KDM4EPLA2G4ARBP4

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 1/4885KDM4E 331/4885PLA2G4A 1149/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885KDM4E 331/4885PLA2G4A 1149/4885

“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.