SCHEMBL23769641

SCHEMBL23769641

O=C(O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2CO)nn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.44
GRM2 Q14416 1/20 0.34
BTK Q06187 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
DPP4 P27487 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5 P09917 2/20 0.31
CA5A P35218 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
TGM2 P21980 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
SCHEMBL23769216 0.91 KLKB1 (0.45) KLKB1GRM2BTKALDH1A1LMNA
SCHEMBL23769252 0.86 ALDH1A1 (0.48) KLKB1ALDH1A1LMNAHPGDTSHR
SCHEMBL23769336 0.86 KLKB1 (0.48) KLKB1GRM2BTKALDH1A1LMNA
SCHEMBL23769235 0.86 KLKB1 (0.48) KLKB1ALDH1A1LMNA
SCHEMBL23769344 0.86 KLKB1 (0.44) KLKB1GRM2BTKALDH1A1LMNA
SCHEMBL23769340 0.86 KLKB1 (0.44) KLKB1GRM2BTKALDH1A1LMNA
SCHEMBL23769339 0.83 KLKB1 (0.60) KLKB1GRM2BTKALDH1A1LMNA
SCHEMBL23769335 0.83 KLKB1 (0.46) KLKB1BTKDPP4
SCHEMBL23769236 0.82 KLKB1 (0.38) KLKB1GRM2BTKDPP4CA5A
SCHEMBL23769341 0.81 KLKB1 (0.44) KLKB1ALDH1A1CYP2D6HPGDTSHR

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.