SCHEMBL3780607

SCHEMBL3780607

CC(C)(C)OC(=O)Nc1cc(N)cc(-c2cccc(N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 1/20 0.44
JAK2 O60674 1/20 0.43
DDX3X O00571 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HDAC1 Q13547 7/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 7/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
NCOR2 Q9Y618 1/20 0.41
HDAC8 Q9BY41 5/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL3786374 0.92 CYP17A1 (0.57) CYP17A1MAP4K4ALDH1A1JAK2DDX3X
SCHEMBL3784632 0.90 CYP17A1 (0.47) CYP17A1MAP4K4BRD4CREBBPHDAC1
SCHEMBL3793046 0.88 MAP4K4 (0.58) CYP17A1MAP4K4JAK2BRD4CREBBP
SCHEMBL3781738 0.86 MAP4K4 (0.50) CYP17A1MAP4K4HDAC1HDAC3HDAC2
SCHEMBL656043 0.86 ALDH1A1 (0.60) CYP17A1MAP4K4ALDH1A1DDX3XBRD4
SCHEMBL29478358 0.86 ALDH1A1 (0.60) CYP17A1MAP4K4ALDH1A1DDX3XBRD4
SCHEMBL10305747 0.82 MAP4K4 (0.46) CYP17A1MAP4K4ALDH1A1HDAC1HDAC3
SCHEMBL3789848 0.82 CYP17A1 (0.62) CYP17A1MAP4K4BRD4CREBBPHDAC1
SCHEMBL3790360 0.82 HDAC3 (0.41) CYP17A1MAP4K4BRD4CREBBPHDAC1
SCHEMBL18391079 0.81 ALDH1A1 (0.54) CYP17A1MAP4K4ALDH1A1DDX3XBRD4

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 CYP17A1 179/4885MAP4K4 3704/4885ALDH1A1 4339/4885

“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.