SCHEMBL21363577

SCHEMBL21363577

Cc1n[nH]c2ncn(C(C)C)c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.34
GSK3B P49841 5/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
BRAF P15056 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL21363699 0.74 TDP1 (0.33) ALDH1A1
SCHEMBL24614004 0.70 SMN1; SMN2 (0.39) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL21363621 0.68 NOTUM (0.37) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL22477648 0.68 ALDH1A1 (0.41) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL12411008 0.67 MEN1 (0.45) GSK3AGSK3BCDK1CCNB1MEN1
SCHEMBL7014104 0.66 PRKCI (0.40)
SCHEMBL22477750 0.65 GSK3A (0.39) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL21363623 0.64 TRPA1 (0.38) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL12535705 0.63 PDPK1 (0.49) ALDH1A1
SCHEMBL20097140 0.63 GDA (0.62) MEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 GSK3A 1508/4885GSK3B 1325/4885CDK1 859/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 GSK3A 1508/4885GSK3B 1325/4885CDK1 859/4885

“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.