SCHEMBL21363594

SCHEMBL21363594

CC(C)n1ncc2c(C#N)cn(C)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM5A P29375 4/20 0.33
PDE1C Q14123 1/20 0.32
XDH P47989 2/20 0.31

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
SCHEMBL21363537 0.77 IMPDH2 (0.36) IMPDH2KDM4EALDH1A1GAAGLA
SCHEMBL26156196 0.77 IMPDH2 (0.36) IMPDH2KDM4EALDH1A1GAAGLA
SCHEMBL22477748 0.73
SCHEMBL27254195 0.67 ALDH1A1 (0.37) KDM4EALDH1A1GAAGLATDP1
SCHEMBL20155367 0.66 CREBBP (0.34) KDM4EALDH1A1PDE1C
SCHEMBL21367817 0.65 ADORA2A (0.38) ALDH1A1
SCHEMBL4351354 0.64 KDM5A (0.36) KDM4EALDH1A1GAAGLAKDM5A
SCHEMBL25291001 0.63 CDK2 (0.34) KDM4EALDH1A1KDM5A
SCHEMBL55228 0.63 KDM4E (0.44) KDM4EALDH1A1XDH
SCHEMBL12689106 0.63 CDK2 (0.34) KDM4EALDH1A1KDM5APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 IMPDH2 3542/4885KDM4E 4048/4885ALDH1A1 721/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 IMPDH2 3542/4885KDM4E 4048/4885ALDH1A1 721/4885

“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.