SCHEMBL21712913

SCHEMBL21712913

Cc1nc(N2CC3C(C2)C3(F)F)ncc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.47
L3MBTL1 Q9Y468 1/20 0.38
BTK Q06187 1/20 0.37
ALKBH1 Q13686 1/20 0.34

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
Lithium Ion SCHEMBL31033178 0.90 KLKB1 (0.48) KLKB1BTK
SCHEMBL31033242 0.88 KLKB1 (0.45) KLKB1BTK
SCHEMBL21713031 0.88 KLKB1 (0.45) KLKB1BTK
SCHEMBL22166243 0.86 KLKB1 (0.59) KLKB1L3MBTL1BTK
SCHEMBL21736635 0.84 KLKB1 (0.45) KLKB1ALKBH1
SCHEMBL20541454 0.84 KLKB1 (0.62) KLKB1
SCHEMBL21736751 0.84 KLKB1 (0.62) KLKB1
SCHEMBL23469646 0.83 KLKB1 (0.47) KLKB1BTK
SCHEMBL20540796 0.83 KLKB1 (0.47) KLKB1BTK
SCHEMBL21736642 0.82 KLKB1 (0.44) KLKB1L3MBTL1ALKBH1

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 5 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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 1/4885L3MBTL1 4291/4885BTK 1297/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885L3MBTL1 4291/4885BTK 1297/4885

“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.