SCHEMBL23769211

SCHEMBL23769211

CCOC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2C=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.38
NOTUM Q6P988 1/20 0.33
PDE5A O76074 1/20 0.33
PIK3CD O00329 1/20 0.33
ALOX15 P16050 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL21736655 0.89 KLKB1 (0.47) KLKB1NOTUMPDE5APIK3CD
SCHEMBL23769185 0.87 KLKB1 (0.35) KLKB1PDE5AKDM4EALDH1A1HPGD
SCHEMBL23769251 0.85 KLKB1 (0.44) KLKB1NOTUMKDM4E
SCHEMBL23769281 0.84 KLKB1 (0.45) KLKB1NOTUMPDE5ANR1H2NR1H3
SCHEMBL23769250 0.82 KLKB1 (0.46) KLKB1
SCHEMBL23769313 0.80 KLKB1 (0.48) KLKB1NOTUMALOX15KDM4EALDH1A1
SCHEMBL23769202 0.79 BTK (0.42) KLKB1NOTUMKDM4E
SCHEMBL21736657 0.78 KLKB1 (0.58) KLKB1NOTUMPIK3CDALOX15NR1H2
SCHEMBL23754307 0.78 KLKB1 (0.44) KLKB1NOTUMKDM4EALDH1A1
SCHEMBL29906616 0.78 KLKB1 (0.44) KLKB1NOTUMKDM4EALDH1A1

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 6 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
US-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-09 US disclosed
WO-2021160716-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO 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 (3 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-20210276976-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, CTRB2 KLKB1 1/4885NOTUM 849/4885PDE5A 3050/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885NOTUM 627/4885PDE5A 2397/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885NOTUM 627/4885PDE5A 2397/4885

“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.