SCHEMBL23830209

SCHEMBL23830209

CCCc1nc(N2CC3CC3C2)ccc1Cn1ccnc1CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 7/20 0.35
KLKB1 P03952 8/20 0.34
PDE10A Q9Y233 1/20 0.32
ALPG P10696 2/20 0.32
SMPD3 Q9NY59 1/20 0.32
PLAA Q9Y263 1/20 0.32
ALPL P05186 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
SCHEMBL23830226 0.92 ALDH1A1 (0.37) ALDH1A1KCNH2KLKB1PDE10ASMPD3
SCHEMBL21713125 0.85 KLKB1 (0.45) ALDH1A1KLKB1
SCHEMBL23830205 0.85 KCNH2 (0.38) ALDH1A1KCNH2KLKB1PDE10ASMPD3
SCHEMBL23830196 0.84 ALDH1A1 (0.36) ALDH1A1KCNH2KLKB1PDE10ASMPD3
SCHEMBL23830256 0.84 KCNH2 (0.41) ALDH1A1KCNH2KLKB1PDE10ASMPD3
SCHEMBL23781341 0.82 ALDH1A1 (0.43) ALDH1A1KCNH2KLKB1
SCHEMBL23781340 0.82 ALDH1A1 (0.37) ALDH1A1KCNH2KLKB1PDE10ASMPD3
SCHEMBL23768886 0.76 SMPD3 (0.35) KLKB1PDE10ASMPD3
SCHEMBL23830207 0.74 BTK (0.41) ALDH1A1KCNH2ALPGPLAAALPL
SCHEMBL23830265 0.74 KCNH2 (0.39) ALDH1A1KCNH2KLKB1ALPGPLAA

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-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 1223/4885KCNH2 782/4885KLKB1 1/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1223/4885KCNH2 782/4885KLKB1 1/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885KCNH2 782/4885KLKB1 1/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885KCNH2 782/4885KLKB1 1/4885

“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.