SCHEMBL3786645

SCHEMBL3786645

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(N)cc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.53
CYP17A1 P05093 4/20 0.50
MAP4K4 O95819 1/20 0.47
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL1753916 0.90 ABCB1 (0.54) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL24233399 0.90 AAK1 (0.52) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL5869075 0.90 AAK1 (0.52) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL5868802 0.90 ABCB1 (0.54) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL30059279 0.89 CYP17A1 (0.54) AAK1CYP17A1MAP4K4ABCB1ABCC1
Ammonia Solution, Strong SCHEMBL21835798 0.89 ABCB1 (0.53) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL197036 0.89 CYP17A1 (0.54) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL5868853 0.89 AAK1 (0.51) AAK1CYP17A1MAP4K4ABCB1ABCC1
SCHEMBL3789925 0.89 HDAC2 (0.51) AAK1CYP17A1MAP4K4HDAC1HDAC2
SCHEMBL15160030 0.88 GAA (0.52) AAK1CYP17A1MAP4K4GAAMAPT

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 AAK1 3562/4885CYP17A1 179/4885MAP4K4 3704/4885

“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.