SCHEMBL21363619

SCHEMBL21363619

Cc1cnc(Cl)c2ncn(C(C)C)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
GSK3A P49840 8/20 0.38
GSK3B P49841 8/20 0.38
CDK1 P06493 7/20 0.38
CCNB1 P14635 7/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
BRAF P15056 1/20 0.34
CDK2 P24941 3/20 0.33
CCNA2 P20248 2/20 0.33
CCNA1 P78396 2/20 0.33
DYRK1A Q13627 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 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
SCHEMBL20203286 0.80 TRPA1 (0.45) TRPA1CDK1BRAF
SCHEMBL22477747 0.78 TRPA1 (0.42) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL21363364 0.76 TRPA1 (0.50) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL21363649 0.76 TRPA1 (0.40) TRPA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL22477750 0.75 GSK3A (0.39) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL21363623 0.71 TRPA1 (0.38) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL8279074 0.69 CNR1 (0.41) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL2475932 0.67 ADORA2A (0.64) CDK1CCNB1CDK5CDK5R1CDK2
SCHEMBL16503635 0.67 CNR1 (0.36) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL31331738 0.67 ADORA2A (0.64) CDK1CCNB1CDK5CDK5R1CDK2

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-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 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 (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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885GSK3A 1353/4885GSK3B 1093/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885GSK3A 1508/4885GSK3B 1325/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885GSK3A 1508/4885GSK3B 1325/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885GSK3A 1508/4885GSK3B 1325/4885

“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.