SCHEMBL21736668

SCHEMBL21736668

Cc1nc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.42
KHK P50053 5/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 3/20 0.31
SORD Q00796 1/20 0.30

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
SCHEMBL21713083 1.00 KLKB1 (0.42) KLKB1KHKMEN1KMT2APDE10A
SCHEMBL21713082 1.00 KLKB1 (0.42) KLKB1KHKMEN1KMT2APDE10A
SCHEMBL21736651 0.87 KLKB1 (0.41) KLKB1MEN1KMT2APDE10ASORD
SCHEMBL21747132 0.87 KLKB1 (0.41) KLKB1MEN1KMT2APDE10ASORD
SCHEMBL22134233 0.87 KLKB1 (0.41) KLKB1MEN1KMT2APDE10ASORD
SCHEMBL23843145 0.83 KLKB1 (0.35) KLKB1MEN1KMT2ASORD
SCHEMBL21713053 0.82 KLKB1 (0.45) KLKB1
SCHEMBL30140714 0.82 KLKB1 (0.45) KLKB1
SCHEMBL21713019 0.81 KLKB1 (0.38) KLKB1KHKPDE10A
SCHEMBL21713020 0.81 KLKB1 (0.38) KLKB1KHKPDE10A

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 2 patents. 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
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885KHK 31/4885MEN1 1059/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885KHK 31/4885MEN1 1059/4885

“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.