SCHEMBL23769332

SCHEMBL23769332

O=C(O)c1cn(Cc2ccc(N3CC4CC4C3)cn2)nn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.40
KLKB1 P03952 3/20 0.37
DPP4 P27487 1/20 0.36
CA5A P35218 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 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
SCHEMBL23768871 0.86 CA5A (0.35) KLKB1DPP4CA5A
SCHEMBL23769178 0.85 ALDH1A1 (0.51) BTKKLKB1
SCHEMBL23769333 0.81 BTK (0.43) BTKKLKB1
SCHEMBL23830189 0.81 KLKB1 (0.39) KLKB1CHRNB2CHRNA7CHRNA4
SCHEMBL18816632 0.78 BTK (0.58) BTKKLKB1
SCHEMBL18816573 0.78 BTK (0.56) BTKKLKB1DPP4
SCHEMBL18795077 0.73 BTK (0.55) BTK
SCHEMBL21712947 0.73 KLKB1 (0.59) BTKKLKB1
SCHEMBL31033203 0.73 KLKB1 (0.59) BTKKLKB1
SCHEMBL21712925 0.73 KLKB1 (0.60) BTKKLKB1

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 1/4885DPP4 780/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 BTK 1516/4885KLKB1 1/4885DPP4 780/4885

“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.