SCHEMBL23769243

SCHEMBL23769243

O=C(O)c1cn(Cc2ccc(N3CC4CC4C3)nc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.47
RBP4 P02753 4/20 0.35
BTK Q06187 2/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL23768864 0.88 KLKB1 (0.45) KLKB1RBP4BTK
SCHEMBL23768869 0.88 KLKB1 (0.45) KLKB1RBP4BTK
SCHEMBL21736656 0.88 KLKB1 (0.49) KLKB1
SCHEMBL23769233 0.87 KLKB1 (0.61) KLKB1RBP4BTK
SCHEMBL23769331 0.87 KLKB1 (0.49) KLKB1RBP4BTKKDM4AKDM5A
SCHEMBL23830177 0.87 KLKB1 (0.44) KLKB1RBP4BTK
SCHEMBL29906547 0.87 KLKB1 (0.44) KLKB1RBP4BTK
SCHEMBL23769369 0.87 KLKB1 (0.44) KLKB1RBP4BTK
SCHEMBL23769168 0.86 KLKB1 (0.46) KLKB1RBP4
SCHEMBL23769406 0.86 KLKB1 (0.48) KLKB1

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 1/4885RBP4 3590/4885BTK 1516/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885RBP4 3590/4885BTK 1516/4885

“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.