SCHEMBL3790831

SCHEMBL3790831

CC(C)(C)OC(=O)Nc1ccc(-c2cccc(N)c2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.47
▸ CYP17A1 P05093 2/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL3791592 0.90 HDAC2 (0.51) AAK1CYP17A1HDAC3HDAC1HDAC2
SCHEMBL5868898 0.90 HDAC2 (0.50) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL5868802 0.89 ABCB1 (0.54) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL1753916 0.89 ABCB1 (0.54) AAK1CYP17A1ABCB1ABCC1MAP4K4
Ammonia Solution, Strong SCHEMBL21835798 0.88 ABCB1 (0.53) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL3786645 0.88 AAK1 (0.53) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL5868895 0.87 AAK1 (0.48) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL30118376 0.87 AAK1 (0.48) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL25254382 0.86 CSF1R (0.46) AAK1CYP17A1ABCB1ABCC1MAP4K4
SCHEMBL5868813 0.86 HDAC2 (0.53) AAK1CYP17A1ABCB1ABCC1HDAC2

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 179/4885ABCB1 826/4885

“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.

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