SCHEMBL4621166

SCHEMBL4621166

CC(C)(C)c1ccc(-c2cc(Cl)ncn2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.46
KMO O15229 8/20 0.43
ALOX5AP P20292 2/20 0.36
PIK3CD O00329 1/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
FLT3 P36888 1/20 0.34
CDK8 P49336 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
PRKX P51817 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
PKN2 Q16513 1/20 0.34
MINK1 Q8N4C8 1/20 0.34

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
SCHEMBL18985837 0.80 KMO (0.50) AAK1KMOPIK3CDCDC7DAPK3
SCHEMBL4620751 0.76 AAK1 (0.39) AAK1KMO
SCHEMBL1013500 0.76 TRPV1 (0.45) AAK1KMOPIK3CD
SCHEMBL5916958 0.74 KMO (0.43) AAK1KMO
SCHEMBL3405923 0.73 KMO (0.49) AAK1KMOCDC7DAPK3MAP4K4
SCHEMBL1229978 0.72 KMO (0.66) AAK1KMO
SCHEMBL4620977 0.72 AAK1 (0.53) AAK1KMOPIK3CDMAP4K4
SCHEMBL16635221 0.71 CYP11B2 (0.58) AAK1KMO
SCHEMBL18650863 0.71 KMO (0.47) AAK1KMO
SCHEMBL19596282 0.70 KMO (0.49) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 AAK1 1013/4885KMO 93/4885ALOX5AP 845/4885

“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.