SCHEMBL4877478

SCHEMBL4877478

CC(C)(C)OC(=O)NCCC(C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
KDR P35968 6/20 0.41
FGFR1 P11362 2/20 0.41
AURKB Q96GD4 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
DCLK1 O15075 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL4870050 0.83 KDR (0.58) ROCK2KDRFGFR1AURKBCDC7
SCHEMBL4874920 0.83 KDR (0.58) ROCK2KDRFGFR1AURKBCDC7
SCHEMBL4866136 0.83 KDR (0.58) ROCK2KDRFGFR1AURKBCDC7
SCHEMBL14078761 0.79 CDC7 (0.43) ROCK2KDRFGFR1AURKBCDC7
SCHEMBL4905656 0.79 KDR (0.42) ROCK2KDRFGFR1AURKBCDC7
SCHEMBL4871872 0.78 ROCK2 (0.48) ROCK2KDRFGFR1CHEK1PIM1
SCHEMBL5223405 0.77 ROCK2 (0.41) ROCK2KDRFGFR1MAPK1EPHB4
SCHEMBL1456833 0.75 AURKB (0.40) ROCK2KDRFGFR1AURKBCDC7
SCHEMBL1456271 0.73 MEN1 (0.47) STK17AKDM4EKMT2AGAAALDH1A1
SCHEMBL1457296 0.72 SLC6A3 (0.43) STK17AKMT2AGAAALDH1A1LMNA

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 ROCK2 594/4885KDR 919/4885FGFR1 287/4885

“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.