SCHEMBL21367573

SCHEMBL21367573

C#Cc1cn(N)c2c(=O)n(C)cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.34
BLM P54132 2/20 0.34
GLA P06280 1/20 0.34
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
GDA Q9Y2T3 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
DPP4 P27487 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 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
SCHEMBL20203178 0.73 TRPA1 (0.45) ADORA2BGLAPIK3CDPOLBADORA3
SCHEMBL21363529 0.68 TRPA1 (0.35) ADORA2BGLAPIK3CDPOLBADORA3
SCHEMBL23898963 0.65 ADORA2A (0.42) ADORA2BBLMPIK3CDPOLBADORA3
SCHEMBL20203174 0.61 ADORA2A (0.48) ADORA2BBLMPIK3CDPOLBADORA3
SCHEMBL23204257 0.60 HDAC8 (0.32) GLAALDH1A1
SCHEMBL20203177 0.60 PIK3CD (0.37) ADORA2BBLMPIK3CDPOLBADORA3
SCHEMBL23974836 0.59 ADORA2B (0.56) ADORA2BBLMGLAPIK3CDPOLB
SCHEMBL23974834 0.59 ADORA2B (0.48) ADORA2BBLMGLAPIK3CDPOLB
SCHEMBL20203483 0.59 TRPA1 (0.46) ADORA2BBLMPIK3CDPOLBADORA3
SCHEMBL14438644 0.59 ADORA2A (0.48) ADORA2BBLMPIK3CDPOLBADORA3

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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
US-20190284189-A1 OXADIAZOLONES AS 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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ADORA2B 220/4885BLM 2336/4885GLA 4451/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2B 220/4885BLM 2336/4885GLA 4451/4885

“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.