SCHEMBL23769158

SCHEMBL23769158

CCOC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.45
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.36
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21736739 0.90 KLKB1 (0.46) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23754165 0.89 KLKB1 (0.47) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL29906650 0.89 KLKB1 (0.47) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23768889 0.89 KLKB1 (0.45) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23753986 0.89 KLKB1 (0.45) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL31357725 0.89 KLKB1 (0.45) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23769179 0.89 KLKB1 (0.48) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23768901 0.88 KLKB1 (0.44) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23769261 0.87 KLKB1 (0.44) KLKB1NPC1RAB9AKDM4ERXFP1
SCHEMBL23773002 0.86 KLKB1 (0.43) KLKB1NPC1RAB9AKDM4ERXFP1

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 1/4885NPC1 2426/4885RAB9A 3930/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885NPC1 2426/4885RAB9A 3930/4885

“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.