SCHEMBL21363483

SCHEMBL21363483

Cn1cnc2ncn(C(C)(C)C)c(=S)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
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
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
CYP3A4 P08684 2/20 0.32

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
SCHEMBL21363369 0.83
SCHEMBL21363439 0.78 ADORA2A (0.41) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL21363366 0.74 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21363380 0.71
SCHEMBL22210623 0.70 ADORA2A (0.46) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22477644 0.68 ADORA2A (0.39) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL22957048 0.66 ADORA2B (0.43) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL21363707 0.66 ADORA2A (0.40) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL4313680 0.65 ADORA2B (0.52) ADORA2AADORA2BPIK3CDPOLBADORA3
SCHEMBL12775645 0.64 PI4KA (0.43) TDP1PI4KAPI4K2BPI4K2API4KB

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 5 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-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 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 (4 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 TDP1 1706/4885PI4KA 3457/4885PI4K2B 4015/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TDP1 1591/4885PI4KA 3446/4885PI4K2B 3939/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 TDP1 1706/4885PI4KA 3457/4885PI4K2B 4015/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TDP1 1591/4885PI4KA 3446/4885PI4K2B 3939/4885

“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.