SCHEMBL4871872

SCHEMBL4871872

CNCCC(C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.48
ALDH1A1 P00352 1/20 0.46
TEK Q02763 8/20 0.45
KDR P35968 5/20 0.45
EPHB4 P54760 4/20 0.45
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
FFAR2 O15552 1/20 0.39
PARP1 P09874 2/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KA3 P51812 1/20 0.39
P2RY14 Q15391 1/20 0.38
SLC2A1 P11166 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
SCHEMBL4891808 0.82 MAPT (0.34) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL5223405 0.81 ROCK2 (0.41) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4866136 0.79 KDR (0.58) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4874920 0.79 KDR (0.58) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4870050 0.79 KDR (0.58) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4877478 0.78 ROCK2 (0.41) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4870032 0.77 TEK (0.69) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4007198 0.74 ROCK2 (0.55) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4007194 0.74 ROCK2 (0.55) ROCK2ALDH1A1TEKKDREPHB4
SCHEMBL4869713 0.72 ROCK2 (0.56) ROCK2ALDH1A1TEKKDREPHB4

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 8 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 claimed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO claimed
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 594/4885ALDH1A1 4843/4885TEK 2388/4885

“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.