SCHEMBL23769441

SCHEMBL23769441

Cn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)c(C#N)c2Cl)cn1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.85
RIPK1 Q13546 1/20 0.37

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
SCHEMBL23769700 0.92 KLKB1 (0.86) KLKB1RIPK1
SCHEMBL23769664 0.92 KLKB1 (1.00) KLKB1RIPK1
SCHEMBL23769706 0.86 KLKB1 (0.85) KLKB1
SCHEMBL23769703 0.84 KLKB1 (0.75) KLKB1RIPK1
SCHEMBL23769437 0.84 KLKB1 (1.00) KLKB1
SCHEMBL23769567 0.83 KLKB1 (1.00) KLKB1
SCHEMBL23769573 0.83 KLKB1 (0.68) KLKB1
SCHEMBL23769436 0.80 KLKB1 (0.81) KLKB1
SCHEMBL23769555 0.80 KLKB1 (0.70) KLKB1
SCHEMBL23754301 0.79 KLKB1 (0.53) KLKB1RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885RIPK1 2782/4885

“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.