SCHEMBL21363588

SCHEMBL21363588

Cn1cnc2nc(N)n(C(C)(C)C)c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.35
SYK P43405 1/20 0.34
PIK3CD O00329 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 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
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 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
SCHEMBL21363373 0.88 TRPA1 (0.37) TRPA1PIK3CDPOLBADORA3CNR1
SCHEMBL21363380 0.78
SCHEMBL21363449 0.74 ADORA2A (0.38) TRPA1PIK3CDPOLBADORA3CNR1
SCHEMBL21961 0.73 ADORA2B (0.47) TRPA1PIK3CDPOLBADORA3CNR1
Hydrochloric Acid SCHEMBL17186276 0.72 ADORA2A (0.46) TRPA1PIK3CDPOLBADORA3CNR1
SCHEMBL21363440 0.72 ALDH1A1 (0.37) TRPA1ALDH1A1LMNA
SCHEMBL21363441 0.72 ADORA2A (0.36) TRPA1PIK3CDPOLBADORA3CNR1
SCHEMBL22477704 0.72 TRPA1 (0.38) TRPA1PIK3CDPOLBADORA3CNR1
SCHEMBL21363366 0.71 ADORA2A (0.37) TRPA1PIK3CDPOLBADORA3CNR1
SCHEMBL9466617 0.71 ADORA2A (0.38) TRPA1PIK3CDPOLBADORA3CNR1

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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
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 TRPA1 1/4885SYK 2109/4885PIK3CD 3772/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885SYK 1584/4885PIK3CD 3752/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885SYK 1584/4885PIK3CD 3752/4885

“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.