SCHEMBL21363621

SCHEMBL21363621

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
PDE5A O76074 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
GSK3A P49840 5/20 0.34
GSK3B P49841 5/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 1/20 0.34
NR3C1 P04150 5/20 0.34
TRPA1 O75762 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL20709962 0.83 ADORA2A (0.41) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL21363476 0.75 NOTUM (0.38) NOTUMPDE5APDE4APDE4BPDE4C
SCHEMBL22400015 0.72 HPGD (0.39) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL17163983 0.70 ADORA2B (0.51) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL24614004 0.70 SMN1; SMN2 (0.39) PDE4APDE4BPDE4CPDE4DGSK3A
SCHEMBL28500642 0.69 ADORA2A (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL18742239 0.69 ADORA2B (0.50) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL22477648 0.68 ALDH1A1 (0.41) GSK3AGSK3BCDK1CCNB1CDK5
SCHEMBL22400014 0.68 CDK1 (0.37) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL21363577 0.68 GSK3A (0.34) GSK3AGSK3BCDK1CCNB1CDK5

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 NOTUM 3701/4885PDE5A 1096/4885PDE4A 1182/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 NOTUM 3701/4885PDE5A 1096/4885PDE4A 1182/4885

“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.