SCHEMBL21363451

SCHEMBL21363451

CCn1cnn2c(N)nc(C)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.42
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
ADORA2A P29274 2/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA2B P29275 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL21363363 0.84 TRPA1 (0.46) TRPA1RAB9AADORA2APDE4AADORA2B
SCHEMBL25165852 0.80 TRPA1 (0.43) TRPA1RAB9A
SCHEMBL21363543 0.75 TRPA1 (0.34) TRPA1
SCHEMBL22477716 0.73 TRPA1 (0.49) TRPA1TSHR
SCHEMBL21363592 0.70 TRPA1 (0.41) TRPA1RAB9AADORA2ACDK1CCNB1
SCHEMBL21367606 0.67 TRPA1 (0.44) TRPA1
SCHEMBL25165834 0.66 TRPA1 (0.42) TRPA1RAB9AADORA2APDE4AADORA2B
SCHEMBL24754374 0.61 SMN1; SMN2 (0.41) RAB9ATSHRADORA2ACDK1CCNB1
SCHEMBL20203175 0.61 TRPA1 (0.41) TRPA1ADORA2AADORA2B
SCHEMBL20962568 0.60 GABRA5 (0.37) RAB9ATSHRADORA2ACDK1CCNB1

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 TRPA1 1/4885RAB9A 3728/4885TSHR 903/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885RAB9A 3728/4885TSHR 903/4885

“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.