SCHEMBL21363362

SCHEMBL21363362

Cn1cnc2c(C#N)c[nH]c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.37
DPYD Q12882 1/20 0.36
ADORA2B P29275 3/20 0.35
KDM5A P29375 3/20 0.35
DPP4 P27487 2/20 0.35
PIK3CD O00329 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
NTSR1 P30989 1/20 0.33
MC3R P41968 1/20 0.33
NOTUM Q6P988 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
GDA Q9Y2T3 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
ROCK2 O75116 2/20 0.33

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
SCHEMBL14157989 0.77 RAB9A (0.37) ADORA2ARAB9AADORA2BDPP4PIK3CD
SCHEMBL20203178 0.72 TRPA1 (0.45) ADORA2ARAB9AKMT2AADORA2BKDM5A
SCHEMBL3945500 0.71 PNP (0.45) DPYDALDH1A1
SCHEMBL20187573 0.71 DPP4 (0.37) ADORA2ARAB9AADORA2BKDM5ADPP4
SCHEMBL21363529 0.67 TRPA1 (0.35) ADORA2ARAB9AKMT2AADORA2BKDM5A
SCHEMBL22229480 0.66 KDM4E (0.42) KMT2AKDM5AKDM4EALDH1A1GLA
SCHEMBL14438644 0.65 ADORA2A (0.48) ADORA2AADORA2BPIK3CDADORA3ADORA1
SCHEMBL26776310 0.65 DPYD (0.42) ADORA2AKMT2ADPYDADORA2BKDM5A
SCHEMBL20203483 0.65 TRPA1 (0.46) ADORA2ARAB9AKMT2AADORA2BDPP4
SCHEMBL26988949 0.65 GDA (0.50) ADORA2ARAB9AADORA2BPIK3CDADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
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 (3 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ADORA2A 120/4885RAB9A 3715/4885KMT2A 4225/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ADORA2A 209/4885RAB9A 3728/4885KMT2A 4323/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ADORA2A 209/4885RAB9A 3728/4885KMT2A 4323/4885

“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.