SCHEMBL4620977

SCHEMBL4620977

CC(C)(C)OC(=O)Nc1cc(-c2cc(Cl)ncn2)ccc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.53
MAP4K4 O95819 1/20 0.41
CYP17A1 P05093 1/20 0.39
EGFR P00533 2/20 0.39
SRC P12931 1/20 0.39
ATR Q13535 1/20 0.38
KMO O15229 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
TBK1 Q9UHD2 1/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
BACE1 P56817 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL5916958 0.87 KMO (0.43) AAK1KMO
SCHEMBL4301854 0.82 MAP4K4 (0.56) AAK1MAP4K4CYP17A1EGFRSRC
SCHEMBL1013228 0.73 AAK1 (0.47) AAK1ATR
SCHEMBL16794045 0.73 AAK1 (0.49) AAK1KMO
SCHEMBL4621166 0.72 AAK1 (0.46) AAK1MAP4K4KMOPIK3CD
SCHEMBL29400652 0.71 ATR (0.45) AAK1MAP4K4EGFRSRCATR
SCHEMBL18805591 0.71 ATR (0.45) AAK1MAP4K4EGFRSRCATR
SCHEMBL4620751 0.69 AAK1 (0.39) AAK1KMO
SCHEMBL31435380 0.69 LMNA (0.47) AAK1CYP17A1ATR
SCHEMBL10252993 0.68 POLB (0.58) BRD9

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 1013/4885MAP4K4 411/4885CYP17A1 2739/4885

“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.