SCHEMBL3787322

SCHEMBL3787322

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(N)cc2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
CYP17A1 P05093 4/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
PSMB8 P28062 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PRKDC P78527 1/20 0.39
MAPKAPK2 P49137 3/20 0.38
NAMPT P43490 1/20 0.38
HDAC10 Q969S8 1/20 0.38
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL3783709 0.89 MAP4K4 (0.46) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL3785170 0.89 MAP4K4 (0.48) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL3792749 0.86 BRD4 (0.44) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL3785153 0.84 CYP17A1 (0.59) MAP4K4CYP17A1PSMB8GAAPRKDC
Methane SCHEMBL28036476 0.83 CYP17A1 (0.58) MAP4K4CYP17A1PSMB8GAAHDAC3
SCHEMBL78108 0.82 MAPT (0.53) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL3792875 0.82 CA12 (0.44) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL23024750 0.82 MAP4K4 (0.49) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL29594933 0.82 MAP4K4 (0.49) MAP4K4CYP17A1CA12CA1CA9
SCHEMBL20370284 0.81 CYP17A1 (0.53) MAP4K4CYP17A1CA12CA1CA9

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 MAP4K4 3704/4885CYP17A1 179/4885CA12 1438/4885

“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.