SCHEMBL23830229

SCHEMBL23830229

O=C(OC(=O)C(F)(F)F)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.52
ENPP2 Q13822 1/20 0.36
CPB1 P15086 1/20 0.35
BTK Q06187 1/20 0.34
ALDH1A1 P00352 4/20 0.32
CYP2D6 P10635 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
SCD O00767 1/20 0.32
CYP3A4 P08684 2/20 0.32
RBP4 P02753 1/20 0.32
GRM2 Q14416 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL23830228 0.85 KLKB1 (0.52) KLKB1ENPP2CPB1BTKALDH1A1
Trifluoroacetic Acid SCHEMBL29906622 0.85 KLKB1 (0.52) KLKB1ENPP2CPB1BTKALDH1A1
SCHEMBL21736897 0.83 KLKB1 (0.56) KLKB1ALDH1A1CYP2D6HSD17B10HPGD
SCHEMBL21736669 0.82 KLKB1 (0.56) KLKB1BTKALDH1A1HSD17B10HPGD
SCHEMBL22166237 0.81 KLKB1 (0.56) KLKB1BTKALDH1A1CYP2D6HSD17B10
SCHEMBL23830175 0.81 BTK (0.47) KLKB1ENPP2BTKALDH1A1CYP2D6
SCHEMBL4737902 0.76 RBP4 (0.46) KLKB1CPB1CYP2D6TSHRSCD
SCHEMBL23768898 0.74 KLKB1 (0.49) KLKB1BTKALDH1A1CYP2D6HSD17B10
Trifluoroacetic Acid SCHEMBL23830173 0.69 BTK (0.49) KLKB1BTKHSD17B10
Trifluoroacetic Acid SCHEMBL29906618 0.69 BTK (0.49) KLKB1BTKHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 US disclosed
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ENPP2 576/4885CPB1 112/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ENPP2 576/4885CPB1 112/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ENPP2 576/4885CPB1 112/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ENPP2 576/4885CPB1 112/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ENPP2 576/4885CPB1 112/4885

“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.