SCHEMBL3786959

SCHEMBL3786959

CC(C)(C)OC(=O)Nc1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
METAP1 P53582 1/20 0.38
MAP4K4 O95819 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP17A1 P05093 4/20 0.37
IDO1 P14902 1/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL3786651 0.90 BRD9 (0.47) BRD4CREBBPRXFP1HSP90AA1HSP90AB1
SCHEMBL3784682 0.89 TRPV1 (0.46) BRD4CREBBPRXFP1HSP90AA1HSP90AB1
SCHEMBL3790139 0.87 CHRM3 (0.46) BRD4CREBBPRXFP1HSP90AA1HSP90AB1
SCHEMBL3784704 0.82 METAP1 (0.44) RXFP1HSP90AA1HSP90AB1BRD9METAP1
SCHEMBL3789289 0.82 BRD9 (0.45) BRD4RXFP1HSP90AA1HSP90AB1BRD9
SCHEMBL3785557 0.81 BRD4 (0.41) BRD4CREBBPBRD9MAP4K4CYP17A1
SCHEMBL3786206 0.81 CYP17A1 (0.42) RXFP1BRD9TRPV1MAP4K4CYP17A1
SCHEMBL3786212 0.81 MAP4K4 (0.42) BRD4CREBBPRXFP1BRD9TRPV1
SCHEMBL29493510 0.79 LCK (0.45) RXFP1BRD9METAP1LMNAPOLB
SCHEMBL17931854 0.79 LCK (0.45) RXFP1BRD9METAP1LMNAPOLB

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 BRD4 96/4885CREBBP 4125/4885RXFP1 4257/4885

“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.