SCHEMBL23769202

SCHEMBL23769202

CCOC(=O)c1cn(Cc2cnc(N3CC4CC4C3)cc2C)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.42
KLKB1 P03952 9/20 0.41
NOTUM Q6P988 1/20 0.37
SMO Q99835 1/20 0.35
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL23769320 0.90 NOTUM (0.42) BTKKLKB1NOTUMSMO
SCHEMBL23769317 0.88 BTK (0.44) BTKKLKB1NOTUM
SCHEMBL23773116 0.88 BTK (0.44) BTKKLKB1NOTUM
SCHEMBL23769246 0.88 BTK (0.44) BTKKLKB1
SCHEMBL29906606 0.84 KLKB1 (0.46) KLKB1NOTUMKDM4ENPC1RAB9A
SCHEMBL23754033 0.84 KLKB1 (0.46) KLKB1NOTUMKDM4ENPC1RAB9A
SCHEMBL21736670 0.84 KLKB1 (0.56) BTKKLKB1NOTUMKDM4ENPC1
SCHEMBL18816741 0.83 BTK (0.57) BTKKLKB1
SCHEMBL23769313 0.83 KLKB1 (0.48) KLKB1NOTUMKDM4E
SCHEMBL21736655 0.82 KLKB1 (0.47) KLKB1NOTUM

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 BTK 1516/4885KLKB1 1/4885NOTUM 627/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 BTK 1516/4885KLKB1 1/4885NOTUM 627/4885

“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.