SCHEMBL4021053

SCHEMBL4021053

O=C=NC1Cc2cccc(Br)c2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
PIM1 P11309 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK5 Q00535 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ABHD6 Q9BV23 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
SCHEMBL4015553 0.80 DRD2 (0.42)
SCHEMBL4016131 0.80 PSEN1 (0.35) ALDH1A1
SCHEMBL1193046 0.78 ANPEP (0.39) ALDH1A1
SCHEMBL6129157 0.69 CYP3A4 (0.39) ALDH1A1
SCHEMBL23210909 0.69 GID4 (0.36) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL13360866 0.69 BRD4 (0.39) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL30422252 0.69 BRD4 (0.39) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL30308730 0.69 GID4 (0.36) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL5659277 0.68 CYP19A1 (0.44) ALDH1A1
SCHEMBL9455952 0.67 TRPV1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1

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-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C TRPA1 3381/4885PIM1 3589/4885CSNK1A1 1161/4885

“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.