SCHEMBL3786741

SCHEMBL3786741

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.45
BRD9 Q9H8M2 1/20 0.43
CYP17A1 P05093 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 1/20 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
MAP4K4 O95819 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CNR2 P34972 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
SCHEMBL2132727 0.90 HDAC1 (0.46) AAK1BRD9CYP17A1TRPV1ABCB1
SCHEMBL30118373 0.90 HDAC1 (0.46) AAK1BRD9CYP17A1TRPV1ABCB1
SCHEMBL2316738 0.90 AAK1 (0.46) AAK1BRD9CYP17A1TRPV1ABCB1
SCHEMBL3786879 0.90 HDAC2 (0.48) AAK1BRD9HDAC3HDAC1HDAC2
SCHEMBL5868915 0.89 HSP90AA1 (0.44) AAK1BRD9CYP17A1TRPV1ABCB1
SCHEMBL5869185 0.88 ABCB1 (0.48) AAK1CYP17A1TRPV1ABCB1ABCC1
SCHEMBL5868863 0.87 PPARG (0.44) AAK1CYP17A1TRPV1HDAC3HDAC1
SCHEMBL5868802 0.86 ABCB1 (0.54) AAK1BRD9CYP17A1ABCB1ABCC1
SCHEMBL1753916 0.86 ABCB1 (0.54) AAK1BRD9CYP17A1ABCB1ABCC1
Ammonia Solution, Strong SCHEMBL21835798 0.85 ABCB1 (0.53) AAK1BRD9CYP17A1ABCB1ABCC1

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 3562/4885BRD9 247/4885CYP17A1 179/4885

“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.