SCHEMBL23768871

SCHEMBL23768871

O=C(O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)cn2)nn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.35
DPP4 P27487 1/20 0.35
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KLKB1 P03952 2/20 0.32
SCD O00767 1/20 0.31
TGM2 P21980 1/20 0.30
RIPK1 Q13546 2/20 0.30
GLS O94925 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
SCHEMBL23769319 0.86 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL23769332 0.86 BTK (0.40) CA5ADPP4KLKB1
SCHEMBL23769623 0.82 KLKB1 (0.41) KLKB1
SCHEMBL23843089 0.82 BTK (0.40) KLKB1
SCHEMBL23768855 0.82 BTK (0.40) KLKB1
SCHEMBL23769620 0.79 BTK (0.47) GRM2ALDH1A1LMNATGM2
SCHEMBL23469543 0.75 KLKB1 (0.49) KLKB1
SCHEMBL23769218 0.74 KLKB1 (0.39) CA5ADPP4GRM2KLKB1
SCHEMBL23469646 0.74 KLKB1 (0.47) DPP4ALDH1A1LMNAKLKB1
SCHEMBL20540796 0.74 KLKB1 (0.47) DPP4ALDH1A1LMNAKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CA5A 1036/4885DPP4 780/4885GRM2 4051/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CA5A 1036/4885DPP4 780/4885GRM2 4051/4885

“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.