SCHEMBL21363364

SCHEMBL21363364

CCn1cnc2c(Cl)ncc(C)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
PKM P14618 1/20 0.40
GSK3A P49840 4/20 0.39
GSK3B P49841 4/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 7/20 0.38
HSP90AB1 P08238 7/20 0.38
TSHR P16473 1/20 0.37
CNR1 P21554 1/20 0.37
MAP2K1 Q02750 1/20 0.35

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) TRPA1CDK1
SCHEMBL26618880 0.78 SMN1; SMN2 (0.38) TRPA1PKMGSK3AGSK3BCDK1
SCHEMBL21363649 0.76 TRPA1 (0.40) TRPA1HSP90AA1HSP90AB1
SCHEMBL21363619 0.76 TRPA1 (0.40) TRPA1GSK3AGSK3BCDK1CCNB1
SCHEMBL21363618 0.75 TRPA1 (0.47) TRPA1PKMGSK3AGSK3BCDK1
SCHEMBL26618997 0.69 TSHR (0.40) PKMSMN1; SMN2TSHRCNR1
SCHEMBL13804449 0.69 TRPA1 (0.51) TRPA1PKMGSK3AGSK3BCDK1
SCHEMBL8279146 0.69 CNR1 (0.41) PKMSMN1; SMN2HSP90AA1TSHRCNR1
SCHEMBL8279123 0.69 CNR1 (0.41) PKMGSK3AGSK3BCDK1CCNB1
SCHEMBL14161796 0.68 CNR1 (0.45) TRPA1GSK3AGSK3BCDK1CCNB1

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.