SCHEMBL22166237

SCHEMBL22166237

COCC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.56
HSD17B10 Q99714 6/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP2D6 P10635 5/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
BTK Q06187 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CACNA1H O95180 3/20 0.34
F11 P03951 1/20 0.34
GHSR Q92847 1/20 0.34
KCNJ1 P48048 1/20 0.34
RBP4 P02753 1/20 0.33

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
SCHEMBL21736669 0.85 KLKB1 (0.56) KLKB1HSD17B10ALDH1A1HPGDTSHR
SCHEMBL21736897 0.84 KLKB1 (0.56) KLKB1HSD17B10ALDH1A1CYP2D6HPGD
SCHEMBL23830229 0.81 KLKB1 (0.52) KLKB1HSD17B10ALDH1A1CYP2D6HPGD
Trifluoroacetic Acid SCHEMBL23830228 0.80 KLKB1 (0.52) KLKB1HSD17B10ALDH1A1CYP2D6HPGD
Trifluoroacetic Acid SCHEMBL29906622 0.80 KLKB1 (0.52) KLKB1HSD17B10ALDH1A1CYP2D6HPGD
SCHEMBL23768898 0.78 KLKB1 (0.49) KLKB1HSD17B10ALDH1A1CYP2D6HPGD
SCHEMBL21736930 0.73 KLKB1 (1.00) KLKB1
SCHEMBL31741466 0.73 KLKB1 (1.00) KLKB1
SCHEMBL23843178 0.73 KLKB1 (0.72) KLKB1BTK
SCHEMBL23843221 0.70 KLKB1 (0.43) KLKB1HSD17B10ALDH1A1CYP2D6HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US 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 (1 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885HSD17B10 752/4885ALDH1A1 1415/4885

“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.