SCHEMBL21363440

SCHEMBL21363440

Cn1c(N)nc2ncn(C(C)(C)C)c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TRPA1 O75762 3/20 0.35
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NTRK1 P04629 1/20 0.33
LTK P29376 1/20 0.33
TYRO3 Q06418 1/20 0.33
NTRK2 Q16620 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PRMT5 O14744 1/20 0.31
MEN1 O00255 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
SCHEMBL21363381 0.81 TRPA1 (0.34) ALDH1A1LMNATRPA1
SCHEMBL21363595 0.81 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL21363377 0.79 TRPA1 (0.36) LMNATRPA1KDM4E
SCHEMBL21363374 0.78 TRPA1 (0.37) ALDH1A1LMNATRPA1
SCHEMBL21363702 0.76 ADORA2A (0.45) TRPA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21363490 0.76 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL21363508 0.76 TRPA1 (0.39) ALDH1A1LMNATRPA1CLK4MEN1
SCHEMBL21363439 0.75 ADORA2A (0.41) ALDH1A1LMNATRPA1PDE4APDE4B
SCHEMBL21961 0.73 ADORA2B (0.47) ALDH1A1LMNATRPA1KDM4EPDE4A
SCHEMBL22477723 0.73 TRPA1 (0.34) TRPA1KDM4EPDE5APDE4APDE4B

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 8 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO 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 (6 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 485/4885LMNA 4575/4885TRPA1 1/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885LMNA 3217/4885TRPA1 1/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885TRPA1 1/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885LMNA 3217/4885TRPA1 1/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885TRPA1 1/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885LMNA 3183/4885TRPA1 1/4885

“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.