SCHEMBL21736669

SCHEMBL21736669

O=C(O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.56
RBP4 P02753 1/20 0.39
CPB2 Q96IY4 1/20 0.36
BTK Q06187 2/20 0.36
PLA2G4A P47712 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1I Q9P0X4 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4A O75164 1/20 0.34
P4HTM Q9NXG6 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL23830228 0.94 KLKB1 (0.52) KLKB1RBP4CPB2BTKALDH1A1
Trifluoroacetic Acid SCHEMBL29906622 0.94 KLKB1 (0.52) KLKB1RBP4CPB2BTKALDH1A1
SCHEMBL21736897 0.85 KLKB1 (0.56) KLKB1ALDH1A1CACNA1HTSHRHSD17B10
SCHEMBL22166237 0.85 KLKB1 (0.56) KLKB1RBP4BTKALDH1A1CYP3A4
SCHEMBL23830229 0.82 KLKB1 (0.52) KLKB1RBP4BTKALDH1A1CYP3A4
SCHEMBL21736898 0.82 KLKB1 (0.57) KLKB1RBP4CPB2BTKPLA2G4A
SCHEMBL23768898 0.81 KLKB1 (0.49) KLKB1CPB2BTKALDH1A1CACNA1G
SCHEMBL23769199 0.81 KLKB1 (0.44) KLKB1RBP4PLA2G4AALDH1A1TSHR
SCHEMBL23769226 0.81 KLKB1 (0.45) KLKB1RBP4CPB2BTKPLA2G4A
SCHEMBL23769215 0.81 BTK (0.43) KLKB1BTKALDH1A1CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
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
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 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 (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 KLKB1 1/4885RBP4 3590/4885CPB2 96/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885RBP4 3163/4885CPB2 61/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885RBP4 3590/4885CPB2 96/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885RBP4 3163/4885CPB2 61/4885

“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.