SCHEMBL21363593

SCHEMBL21363593

CC(C)n1nc(C#N)c2ncn(C)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.43
DPP4 P27487 3/20 0.35
F10 P00742 3/20 0.35
CTSK P43235 2/20 0.33
F2 P00734 1/20 0.33
PROC P04070 1/20 0.33
CTRB1 P17538 1/20 0.33
ADORA2B P29275 2/20 0.33
BCAT1 P54687 1/20 0.33
SYK P43405 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL21363591 0.89 TRPA1 (0.39) TRPA1F10F2PROCCTRB1
SCHEMBL20203483 0.82 TRPA1 (0.46) TRPA1DPP4F10F2PROC
SCHEMBL21363425 0.77 TRPA1 (0.43) TRPA1DPP4F10CTSKF2
SCHEMBL21363712 0.71 TRPA1 (0.39) TRPA1F10ADORA2BCYP1A2CYP3A4
SCHEMBL20187657 0.69 TRPA1 (0.48) TRPA1DPP4F10F2PROC
SCHEMBL20203178 0.68 TRPA1 (0.45) TRPA1DPP4F10ADORA2BPDE4A
SCHEMBL20187573 0.67 DPP4 (0.37) TRPA1DPP4ADORA2BCYP3A4ADORA2A
SCHEMBL26155933 0.66 GDA (0.41) TRPA1DPP4ADORA2BCYP3A4PDE4A
SCHEMBL20203370 0.65 TRPA1 (0.46) TRPA1DPP4ADORA2BSYK
SCHEMBL21363529 0.63 TRPA1 (0.35) TRPA1DPP4F10ADORA2BADORA2A

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 TRPA1 1/4885DPP4 3318/4885F10 2510/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885DPP4 3318/4885F10 2510/4885

“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.