SCHEMBL23769219

SCHEMBL23769219

O=C(O)c1cnn(Cc2ccc(N3CC4(CC4)C3)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP11B1 P15538 4/20 0.37
KLKB1 P03952 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
HPGDS O60760 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
CYP11B2 P19099 1/20 0.35
BTK Q06187 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 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
SCHEMBL29906560 0.85 GRM2 (0.39) CYP11B1KLKB1POLBTDP1MAPK1
SCHEMBL23769286 0.85 GRM2 (0.39) CYP11B1KLKB1POLBTDP1MAPK1
SCHEMBL23769333 0.81 BTK (0.43) L3MBTL1HSD17B10KLKB1HPGDSALKBH2
SCHEMBL23843089 0.81 BTK (0.40) L3MBTL1HSD17B10KLKB1POLBTDP1
SCHEMBL23768855 0.81 BTK (0.40) L3MBTL1HSD17B10KLKB1POLBTDP1
SCHEMBL23769373 0.77 BTK (0.51) L3MBTL1HSD17B10KLKB1POLBTDP1
SCHEMBL29906644 0.74 KLKB1 (0.60) KLKB1
SCHEMBL21713003 0.74 KLKB1 (0.60) KLKB1
SCHEMBL23754315 0.72 HRH3 (0.39) HSD17B10CYP2C19CYP3A4USP2MAPK1
SCHEMBL23769637 0.72 KLKB1 (0.47) L3MBTL1HSD17B10KLKB1POLBTDP1

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 L3MBTL1 4462/4885HSD17B10 725/4885CYP11B1 778/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 L3MBTL1 4462/4885HSD17B10 725/4885CYP11B1 778/4885

“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.