SCHEMBL23768952

SCHEMBL23768952

CC(=O)N/N=C/c1ccc(N2CC3CC3C2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
KLKB1 P03952 12/20 0.36
RBP4 P02753 1/20 0.35
HTT P42858 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL23753983 0.85 KLKB1 (0.37) GFERKDM4ESMN1; SMN2MEN1USP2
SCHEMBL29906540 0.85 KLKB1 (0.37) GFERKDM4ESMN1; SMN2MEN1USP2
SCHEMBL23753981 0.85 KLKB1 (0.37) GFERKDM4ESMN1; SMN2MEN1USP2
SCHEMBL23769691 0.80 GFER (0.34) GFERKDM4ESMN1; SMN2MEN1USP2
SCHEMBL21712992 0.76 SMPD3 (0.39) KLKB1RBP4
SCHEMBL23769386 0.71 KLKB1 (0.44) KLKB1
SCHEMBL8802519 0.70 KDM4E (0.44) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL8802527 0.70 KDM4E (0.44) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL23843074 0.69 SMPD3 (0.42) KLKB1RBP4
SCHEMBL23754299 0.68 KLKB1 (0.47) 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 3 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-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 GFER 977/4885KDM4E 331/4885SMN1; SMN2 4693/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 GFER 977/4885KDM4E 331/4885SMN1; SMN2 4693/4885

“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.