SCHEMBL23769310

SCHEMBL23769310

COC(=O)c1ncc(N2CC3C(C2)C3(F)F)nc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.36
NPSR1 Q6W5P4 1/20 0.33
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
TRPA1 O75762 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL25305409 0.79 KMT2A (0.39) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL23768896 0.76 KLKB1 (0.34) KLKB1JAK2JAK1TYK2TRPA1
SCHEMBL23843143 0.72 KLKB1 (0.45) KLKB1
SCHEMBL23769133 0.71 KLKB1 (0.46) KLKB1TRPA1
SCHEMBL20163032 0.70 CKS1B (0.56) ALDH1A1SMN1; SMN2
SCHEMBL30087418 0.69 HCRTR1 (0.38) NPSR1HCRTR1HCRTR2
SCHEMBL23754196 0.69 HCRTR1 (0.38) NPSR1HCRTR1HCRTR2
SCHEMBL21736617 0.69 KLKB1 (0.62) KLKB1
SCHEMBL20540805 0.68 NR1H2 (0.48) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL22439849 0.67 NPSR1 (0.48) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A

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 1/4885NPSR1 475/4885HCRTR1 685/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885NPSR1 475/4885HCRTR1 685/4885

“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.