SCHEMBL22402989

SCHEMBL22402989

CC(C)(C)n1nc(C#N)c2c1CCC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
MAPK1 P28482 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
SCHEMBL15730580 0.77 L3MBTL1 (0.33) PARP1L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL15723691 0.76 L3MBTL1 (0.34) L3MBTL1KDM4EALDH1A1HSD17B10CASP1
SCHEMBL23937891 0.73 KDM4E (0.33) L3MBTL1KDM4EALDH1A1
SCHEMBL20631154 0.72 KDM4E (0.35) L3MBTL1KDM4EALDH1A1HSD17B10CASP1
SCHEMBL23937924 0.69 KDM5A (0.33) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL17616501 0.69 PARP1 (0.33) PARP1
SCHEMBL22402968 0.69 PARP1 (0.37) PARP1L3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL17616497 0.67 LMNA (0.49) KDM4EALDH1A1HSD17B10
SCHEMBL24997633 0.66 PARP1 (0.31) PARP1
SCHEMBL17616487 0.64 PARP1 (0.31) PARP1

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-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 US disclosed
US-11331369-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2022-05-17 US disclosed
US-20200282016-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2020-09-10 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 (4 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-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885L3MBTL1 445/4885KDM4E 3941/4885
US-20200282016-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885L3MBTL1 445/4885KDM4E 3941/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885L3MBTL1 445/4885KDM4E 3941/4885
US-11331369-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885L3MBTL1 445/4885KDM4E 3941/4885

“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.