SCHEMBL3789289

SCHEMBL3789289

CC(C)(C)OC(=O)Nc1cccc(-c2ccccc2N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.39
IDO1 P14902 2/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
METAP1 P53582 1/20 0.39
BRD4 O60885 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
NAMPT P43490 1/20 0.36
TDP2 O95551 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
SCHEMBL3783723 0.90 BRD9 (0.47) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL3788603 0.87 HSP90AA1 (0.46) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL3786651 0.86 BRD9 (0.47) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL211033 0.84 HDAC1 (0.52) BRD9RXFP1LMNAPOLBHDAC1
SCHEMBL29353000 0.84 HDAC1 (0.52) BRD9RXFP1LMNAPOLBHDAC1
SCHEMBL3787700 0.83 ATR (0.39) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL3786959 0.82 BRD4 (0.41) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL3791007 0.81 BRD9 (0.43) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL3784001 0.81 BRD9 (0.43) BRD9RXFP1HSP90AA1HSP90AB1LMNA
SCHEMBL23102538 0.81 BRD9 (0.42) BRD9RXFP1HSP90AA1HSP90AB1LMNA

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 BRD9 247/4885RXFP1 4257/4885HSP90AA1 4759/4885

“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.