SCHEMBL4870032

SCHEMBL4870032

O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 8/20 0.69
KDR P35968 5/20 0.69
EPHB4 P54760 4/20 0.69
EGFR P00533 1/20 0.69
PDGFRB P09619 1/20 0.69
KIT P10721 1/20 0.69
FGFR1 P11362 1/20 0.69
FLT1 P17948 1/20 0.69
ALDH1A1 P00352 1/20 0.62
ROCK2 O75116 1/20 0.58
PARP1 P09874 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
EPHX1 P07099 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49

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
SCHEMBL4869713 0.87 ROCK2 (0.56) TEKKDREPHB4EGFRPDGFRB
SCHEMBL4002520 0.81 ALDH1A1 (0.52) TEKKDREPHB4EGFRPDGFRB
SCHEMBL4002529 0.81 ALDH1A1 (0.52) TEKKDREPHB4EGFRPDGFRB
SCHEMBL8213573 0.80 TEK (0.55) TEKKDREPHB4EGFRPDGFRB
SCHEMBL643424 0.78 ALDH1A1 (1.00) TEKKDREPHB4EGFRPDGFRB
SCHEMBL29898482 0.78 ALDH1A1 (1.00) TEKKDREPHB4EGFRPDGFRB
SCHEMBL14003520 0.78 TEK (0.51) TEKKDREPHB4EGFRPDGFRB
SCHEMBL4876359 0.77 ROCK2 (0.71) TEKKDREPHB4EGFRPDGFRB
SCHEMBL4871872 0.77 ROCK2 (0.48) TEKKDREPHB4EGFRPDGFRB
SCHEMBL4877251 0.75 TEK (0.57) TEKKDREPHB4EGFRPDGFRB

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 TEK 2388/4885KDR 919/4885EPHB4 2629/4885

“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.