SCHEMBL20549644

SCHEMBL20549644

O=C(O)c1cnn(Cc2ccc(N3C[C@@H]4C(CO)[C@@H]4C3)nc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.60
KLKB1 P03952 2/20 0.43
HSD17B10 Q99714 1/20 0.43
EGLN1 Q9GZT9 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL18816736 1.00 BTK (0.60) BTKKLKB1HSD17B10EGLN1L3MBTL1
SCHEMBL23774082 0.90 BTK (0.59) BTKKLKB1HSD17B10HDAC3HDAC4
SCHEMBL20549564 0.88 BTK (0.59) BTKKLKB1HDAC3HDAC4HDAC1
SCHEMBL18815404 0.88 BTK (0.59) BTKKLKB1HDAC3HDAC4HDAC1
SCHEMBL18815409 0.88 BTK (0.59) BTKKLKB1HDAC3HDAC4HDAC1
SCHEMBL21953682 0.86 BTK (0.58) BTKKLKB1HSD17B10EGLN1L3MBTL1
SCHEMBL18794977 0.86 BTK (0.58) BTKKLKB1HSD17B10EGLN1
SCHEMBL20549655 0.85 BTK (0.57) BTKKLKB1HSD17B10EGLN1
Lithium SCHEMBL18794982 0.85 BTK (0.57) BTKKLKB1HSD17B10EGLN1
SCHEMBL18816755 0.83 BTK (0.60) BTKKLKB1HSD17B10EGLN1L3MBTL1

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 3335/4885KLKB1 1/4885HSD17B10 907/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 BTK 3335/4885KLKB1 1/4885HSD17B10 907/4885

“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.