SCHEMBL22166223

SCHEMBL22166223

Cc1nc(N2C[C@@H]3[C@H](C)[C@@H]3C2)ncc1Cn1cnc(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.54
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 1/20 0.33
SORD Q00796 1/20 0.31

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
SCHEMBL31741465 0.83 KLKB1 (0.61) KLKB1KDM4E
SCHEMBL21736661 0.83 KLKB1 (0.61) KLKB1KDM4E
SCHEMBL21736663 0.82 NR1H2 (0.44) KLKB1KDM4ENR1H2SORD
SCHEMBL21736657 0.79 KLKB1 (0.58) KLKB1KDM4ENR1H2
SCHEMBL23769356 0.74 KLKB1 (0.43) KLKB1KDM4EL3MBTL1
SCHEMBL31741498 0.72 KLKB1 (1.00) KLKB1
SCHEMBL21736743 0.70 KLKB1 (0.49) KLKB1
SCHEMBL21736662 0.68 KLKB1 (0.47) KLKB1
SCHEMBL20541008 0.68 NR1H2 (0.45) KLKB1KDM4ENR1H2
SCHEMBL21736645 0.65 NR1H2 (0.45) KLKB1KDM4ENR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 337/4885L3MBTL1 4291/4885

“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.