SCHEMBL4873671

SCHEMBL4873671

COc1ccc(Cn2cnc3cc(Br)ccc3c2=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.47
EGLN1 Q9GZT9 4/20 0.46
DDR1 Q08345 3/20 0.46
P2RX3 P56373 2/20 0.45
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL3085533 0.84 MMP13 (0.55) MAPTHDAC6HDAC3HDAC1HDAC4
SCHEMBL29778896 0.81 ROCK2 (0.62) MAPTROCK2ROCK1
SCHEMBL24617406 0.81 ROCK2 (0.62) MAPTROCK2ROCK1
SCHEMBL17710874 0.76 EGLN1 (0.46) KMT2AEGLN1DDR1GAA
SCHEMBL30283377 0.75 EGLN1 (0.45) MAPTKMT2AEGLN1HDAC6HDAC3
SCHEMBL17710852 0.75 HSP90AA1 (0.49) KMT2AEGLN1DDR1ROCK2ROCK1
SCHEMBL29147374 0.74 MMP13 (0.64) MAPTDDR1HDAC6HDAC3HDAC1
SCHEMBL5259359 0.73 APLNR (0.48) MAPTKMT2AEGLN1HDAC6HDAC3
SCHEMBL6921490 0.73 LMNA (0.54) MAPTKMT2AHDAC6GAA
SCHEMBL19669035 0.73 EGLN1 (0.44) KMT2AEGLN1DDR1GAAROCK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B MAPT 1204/4885KMT2A 1763/4885EGLN1 3459/4885

“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.