SCHEMBL23769404

SCHEMBL23769404

CCOC(=O)c1cc(Cc2ccc(N3CC4CC4C3)nc2C(F)F)no1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.40
PIK3CA P42336 1/20 0.32
POLB P06746 1/20 0.32
PDE10A Q9Y233 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
RBP4 P02753 1/20 0.30
MAPT P10636 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
SCHEMBL23769405 0.89 KLKB1 (0.40) KLKB1PIK3CAPOLBPDE10AKDM4E
SCHEMBL23769355 0.87 KLKB1 (0.41) KLKB1RBP4
SCHEMBL23768922 0.86 KLKB1 (0.41) KLKB1PDE10AKDM4ECYP3A4CYP2C9
SCHEMBL29906637 0.86 KLKB1 (0.41) KLKB1PDE10AKDM4ECYP3A4CYP2C9
SCHEMBL23768910 0.86 KLKB1 (0.41) KLKB1PIK3CAPDE10AALDH1A1MAPT
SCHEMBL23768964 0.85 KLKB1 (0.41) KLKB1PIK3CAPDE10AKDM4ELMNA
SCHEMBL23769298 0.85 KLKB1 (0.41) KLKB1PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL23769304 0.81 KLKB1 (0.39) KLKB1PDE10AKDM4EHSD17B10ALDH1A1
SCHEMBL23769693 0.79 OGA (0.38) KLKB1PIK3CAHDAC4HDAC6HPGD
SCHEMBL23769694 0.78 KLKB1 (0.39) KLKB1PIK3CAPOLBPDE10AKDM4E

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 1/4885PIK3CA 2050/4885POLB 3776/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885PIK3CA 2050/4885POLB 3776/4885

“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.