SCHEMBL21736622

SCHEMBL21736622

COCc1nn(Cc2cnc(N3CC4(CC4)C3)nc2C)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.48
F11 P03951 8/20 0.36
F2 P00734 1/20 0.33

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
SCHEMBL21736879 0.91 KLKB1 (0.46) KLKB1F11F2
SCHEMBL21736732 0.90 KLKB1 (0.40) KLKB1
SCHEMBL21736631 0.85 KLKB1 (0.48) KLKB1
SCHEMBL21736638 0.84 KLKB1 (0.50) KLKB1F11
SCHEMBL21736637 0.84 KLKB1 (0.64) KLKB1
SCHEMBL21736873 0.81 KLKB1 (0.36) KLKB1
SCHEMBL21736689 0.80 KLKB1 (0.63) KLKB1
SCHEMBL24105393 0.77 KLKB1 (0.60) KLKB1F11F2
SCHEMBL21736640 0.76 KLKB1 (0.47) KLKB1
SCHEMBL21736632 0.75 KLKB1 (0.63) KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 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-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 KLKB1 1/4885F11 48/4885F2 28/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885F11 87/4885F2 40/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885F11 87/4885F2 40/4885

“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.