SCHEMBL18818271

SCHEMBL18818271

O=C(O)c1cnn(Cc2cnc(N3CC4CC4C3)cc2C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.62
RBP4 P02753 3/20 0.43
KLKB1 P03952 5/20 0.40

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
SCHEMBL23774064 0.88 BTK (0.60) BTKKLKB1
SCHEMBL18815275 0.87 BTK (0.57) BTKKLKB1
SCHEMBL18816719 0.84 BTK (0.59) BTKKLKB1
SCHEMBL23769232 0.84 BTK (0.47) BTKKLKB1
SCHEMBL18816671 0.83 BTK (0.62) BTKRBP4KLKB1
SCHEMBL18818263 0.80 BTK (0.62) BTKRBP4KLKB1
SCHEMBL23768861 0.80 BTK (0.47) BTKRBP4KLKB1
SCHEMBL18816550 0.77 BTK (1.00) BTKKLKB1
SCHEMBL18816553 0.77 BTK (1.00) BTKKLKB1
SCHEMBL18794977 0.77 BTK (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 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-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 BTK 3335/4885RBP4 1196/4885KLKB1 1/4885

“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.