SCHEMBL23769651

SCHEMBL23769651

O=Cc1ccc(N2CC3(CC3)C2)nc1Br

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIM1 P11309 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 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
SCHEMBL21713002 0.83 MEN1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2MEN1
SCHEMBL31033234 0.83 MEN1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2MEN1
SCHEMBL29976461 0.81 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2MEN1
SCHEMBL23769660 0.81 PIM1 (0.33) ALDH1A1HPGDHSD17B10CYP1A2MEN1
SCHEMBL23754431 0.81 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2MEN1
SCHEMBL23769283 0.75 PDE10A (0.38) TRIM24TRIM33
SCHEMBL23769213 0.75 TRIM24 (0.33) TRIM24TRIM33
SCHEMBL23769214 0.74 MAP3K12 (0.30)
SCHEMBL23769138 0.72 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10CYP1A2USP2
SCHEMBL798795 0.69 HRH3 (0.34) ALDH1A1HPGDHSD17B10CYP1A2USP2

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 TRIM24 3834/4885TRIM33 4555/4885ALDH1A1 1223/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TRIM24 3834/4885TRIM33 4555/4885ALDH1A1 1223/4885

“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.