SCHEMBL21363618

SCHEMBL21363618

CCn1cnc2cncc(C)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.47
PKM P14618 1/20 0.41
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL20187460 0.79 SMN1; SMN2 (0.45) TRPA1TSHR
SCHEMBL20203176 0.78 TRPA1 (0.41) TRPA1HPGD
SCHEMBL20187457 0.78 KDM4E (0.48) TRPA1PKM
SCHEMBL13804449 0.77 TRPA1 (0.51) TRPA1PKMGSK3AGSK3BCDK1
SCHEMBL21363364 0.75 TRPA1 (0.50) TRPA1PKMGSK3AGSK3BCDK1
SCHEMBL20187600 0.75 TRPA1 (0.52) TRPA1
SCHEMBL22477750 0.74 GSK3A (0.39) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL21363471 0.74 TRPA1 (0.37) TRPA1
SCHEMBL20203244 0.74 TRPA1 (0.39) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL20203315 0.74 TRPA1 (0.45) TRPA1

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 1/4885PKM 3241/4885GSK3A 1508/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885PKM 3241/4885GSK3A 1508/4885

“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.