SCHEMBL23769424

SCHEMBL23769424

C=Cc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)OCC)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK3 P52333 1/20 0.34
CASP3 P42574 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
RBP4 P02753 1/20 0.31
ERN1 O75460 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23768929 0.87 ALDH1A1 (0.39) KLKB1HDAC3HDAC4HDAC1HDAC6
SCHEMBL23769570 0.81 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC6PDE10A
SCHEMBL23754095 0.78 KLKB1 (0.38) KLKB1SMN1; SMN2PDE10ANPC1RAB9A
SCHEMBL31357846 0.78 KLKB1 (0.38) KLKB1SMN1; SMN2PDE10ANPC1RAB9A
SCHEMBL23768772 0.76 HDAC3 (0.39) KLKB1HDAC3HDAC4HDAC1HDAC6
SCHEMBL26312230 0.76 HDAC3 (0.39) KLKB1HDAC3HDAC4HDAC1HDAC6
SCHEMBL23769324 0.76 KLKB1 (0.46) KLKB1PDE10A
SCHEMBL23773120 0.76 KLKB1 (0.44) KLKB1PDE10ANPC1RAB9AKDM4E
SCHEMBL29906634 0.76 KLKB1 (0.46) KLKB1PDE10A
SCHEMBL23769350 0.76 ALDH1A1 (0.47) KLKB1ALDH1A1SMN1; SMN2TSHRMAPK1

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 1/4885HDAC3 517/4885HDAC4 810/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885HDAC3 517/4885HDAC4 810/4885

“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.