SCHEMBL20541010

SCHEMBL20541010

Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 1.00
BTK Q06187 9/20 0.78

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
SCHEMBL23469718 1.00 KLKB1 (1.00) KLKB1BTK
SCHEMBL30140726 1.00 KLKB1 (1.00) KLKB1BTK
SCHEMBL30140735 0.91 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469719 0.91 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469516 0.91 KLKB1 (0.83) KLKB1BTK
SCHEMBL23469534 0.90 KLKB1 (1.00) KLKB1BTK
SCHEMBL20540794 0.90 KLKB1 (1.00) KLKB1BTK
SCHEMBL30140706 0.90 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469709 0.89 KLKB1 (1.00) KLKB1BTK
SCHEMBL23469509 0.89 KLKB1 (1.00) KLKB1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3612523-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-09 EP disclosed
EP-3612523-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-09 EP disclosed
US-20180305339-A1 Heteroarylcarboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-10-25 US 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-20180305339-A1 Heteroarylcarboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885BTK 1747/4885

“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.