SCHEMBL20549655

SCHEMBL20549655

O=C(O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2)c1.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.57
HSD17B10 Q99714 1/20 0.45
KLKB1 P03952 2/20 0.43
EGLN1 Q9GZT9 2/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL18794977 0.99 BTK (0.58) BTKHSD17B10KLKB1EGLN1GRIN1
Lithium SCHEMBL18794982 0.98 BTK (0.57) BTKHSD17B10KLKB1EGLN1GRIN1
SCHEMBL21953682 0.92 BTK (0.58) BTKHSD17B10KLKB1EGLN1
SCHEMBL18816828 0.88 BTK (0.57) BTKKLKB1
SCHEMBL20549625 0.87 BTK (0.59) BTKHSD17B10KLKB1EGLN1
SCHEMBL21953537 0.85 BTK (0.56) BTKKLKB1
SCHEMBL23769517 0.85 BTK (0.60) BTKHSD17B10KLKB1EGLN1
SCHEMBL18816755 0.85 BTK (0.60) BTKHSD17B10KLKB1EGLN1
SCHEMBL18816736 0.85 BTK (0.60) BTKHSD17B10KLKB1EGLN1
SCHEMBL20549644 0.85 BTK (0.60) BTKHSD17B10KLKB1EGLN1

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
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 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 (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-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 BTK 3335/4885HSD17B10 907/4885KLKB1 1/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 BTK 3335/4885HSD17B10 907/4885KLKB1 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.