SCHEMBL21392272

SCHEMBL21392272

Cc1cc2c(C(C)(C)C)ncnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
KIT P10721 19/20 0.41

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
SCHEMBL25666628 0.85 IKBKB (0.36) TRPA1KIT
SCHEMBL17531159 0.76 TRPA1 (0.46) TRPA1KIT
SCHEMBL30589329 0.75 TRPA1 (0.45) TRPA1KIT
SCHEMBL6424611 0.75 TRPA1 (0.45) TRPA1KIT
SCHEMBL3647958 0.73 TRPA1 (0.44) TRPA1KIT
SCHEMBL18411576 0.73 TRPA1 (0.44) TRPA1KIT
SCHEMBL514788 0.73 TRPA1 (0.44) TRPA1KIT
SCHEMBL15504591 0.70 KIT (0.43) TRPA1KIT
SCHEMBL26661488 0.69 CCNK (0.47) TRPA1KIT
SCHEMBL4572242 0.68 RET (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 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 (1 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-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 TRPA1 2839/4885KIT 3580/4885

“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.