SCHEMBL23769336

SCHEMBL23769336

O=C(O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2F)nn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.48
GRM2 Q14416 1/20 0.36
BTK Q06187 2/20 0.36
CA5A P35218 1/20 0.36
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
ALOX5 P09917 2/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
TGM2 P21980 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
SCHEMBL23769340 0.87 KLKB1 (0.44) KLKB1GRM2BTKCA5ADPP4
SCHEMBL23769235 0.87 KLKB1 (0.48) KLKB1ALDH1A1LMNA
SCHEMBL23769344 0.87 KLKB1 (0.44) KLKB1GRM2BTKALDH1A1LMNA
SCHEMBL23769339 0.86 KLKB1 (0.60) KLKB1GRM2BTKCA5ADPP4
SCHEMBL23769641 0.86 KLKB1 (0.44) KLKB1GRM2BTKCA5ADPP4
SCHEMBL23769180 0.86 ALDH1A1 (0.49) KLKB1ALDH1A1LMNA
SCHEMBL23769216 0.85 KLKB1 (0.45) KLKB1GRM2BTKCA5ADPP4
SCHEMBL23769218 0.84 KLKB1 (0.39) KLKB1GRM2BTKCA5ADPP4
SCHEMBL23769189 0.83 BTK (0.49) KLKB1GRM2BTKCA5ADPP4
SCHEMBL23830250 0.81 KLKB1 (0.41) KLKB1

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 KLKB1 1/4885GRM2 4051/4885BTK 1516/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885GRM2 4051/4885BTK 1516/4885

“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.