SCHEMBL21363476

SCHEMBL21363476

Cc1nn(C)c2ncn(C(C)(C)C)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
NR3C1 P04150 8/20 0.33
TRPA1 O75762 2/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
PIM1 P11309 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
MAP2K1 Q02750 1/20 0.33
PRKCQ Q04759 1/20 0.33
DYRK1A Q13627 1/20 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
SCHEMBL21363621 0.75 NOTUM (0.37) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL17163983 0.71 ADORA2B (0.51) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL24754378 0.71 ALDH1A1 (0.38) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL21363534 0.70 TRPA1 (0.36) TRPA1LMNAPI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL18742239 0.70 ADORA2B (0.50) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL28500642 0.70 ADORA2A (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20203293 0.69 ALDH1A1 (0.41) TRPA1LMNAALDH1A1
SCHEMBL21367572 0.69 PI4KA (0.35) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL21363699 0.69 TDP1 (0.33) LMNAALDH1A1
SCHEMBL21363473 0.67 TRPA1 (0.41) TRPA1LMNAALDH1A1

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 7 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
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 NOTUM 1889/4885PDE4A 1161/4885PDE4B 1459/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 NOTUM 3893/4885PDE4A 909/4885PDE4B 1229/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 NOTUM 3701/4885PDE4A 1182/4885PDE4B 1675/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 NOTUM 3893/4885PDE4A 909/4885PDE4B 1229/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 NOTUM 3701/4885PDE4A 1182/4885PDE4B 1675/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 NOTUM 3701/4885PDE4A 1182/4885PDE4B 1675/4885

“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.