SCHEMBL22402968

SCHEMBL22402968

CC(C)(C)n1nc2c(c1C#N)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
NSD2 O96028 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 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
SCHEMBL4170962 0.73 ACHE (0.36) PARP1HTR2AHTR2CHTR2BKDM4E
SCHEMBL22402967 0.73 KDM4E (0.36) KDM4EALDH1A1POLBCYP1A2GAA
SCHEMBL21836692 0.70 POLB (0.37) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL16154687 0.69 GAA (0.39) PARP1HTR2AHTR2CHTR2BPOLB
SCHEMBL14752119 0.69 POLB (0.39) PARP1HTR2AHTR2CHTR2BKDM4E
SCHEMBL22402989 0.69 PARP1 (0.34) PARP1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL21718997 0.64 HPGD (0.33)
SCHEMBL11643960 0.64 PTGS2 (0.43) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL21718942 0.62
SCHEMBL21721229 0.62

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 1285/4885HTR2A 3687/4885HTR2C 3745/4885
US-20200282016-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885HTR2A 3687/4885HTR2C 3745/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885HTR2A 3687/4885HTR2C 3745/4885
US-11331369-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 PARP1 1285/4885HTR2A 3687/4885HTR2C 3745/4885

“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.