SCHEMBL4876359

SCHEMBL4876359

O=C(NCc1ccccc1)Nc1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.71
IP6K1 Q92551 1/20 0.57
TEK Q02763 5/20 0.54
KDR P35968 4/20 0.54
EPHB4 P54760 4/20 0.54
EGFR P00533 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
RAB9A P51151 1/20 0.52
ROCK1 Q13464 2/20 0.51
QPCT Q16769 2/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
PTPN7 P35236 1/20 0.49
IMPDH2 P12268 1/20 0.49
GSK3B P49841 1/20 0.48

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
SCHEMBL4877251 0.89 TEK (0.57) ROCK2TEKKDREPHB4EGFR
SCHEMBL4869713 0.89 ROCK2 (0.56) ROCK2TEKKDREPHB4EGFR
SCHEMBL4010961 0.84 ROCK2 (0.76) ROCK2IP6K1TEKKDREPHB4
SCHEMBL4008855 0.79 ROCK2 (0.67) ROCK2IP6K1TEKKDREPHB4
SCHEMBL4008313 0.79 ROCK2 (0.67) ROCK2IP6K1TEKKDREPHB4
SCHEMBL4008308 0.79 ROCK2 (0.67) ROCK2IP6K1TEKKDREPHB4
SCHEMBL4005185 0.79 ROCK2 (1.00) ROCK2RAB9AROCK1CA12CA9
SCHEMBL4870032 0.77 TEK (0.69) ROCK2TEKKDREPHB4EGFR
SCHEMBL4003683 0.75 ROCK2 (0.63) ROCK2IP6K1TEKKDREPHB4
SCHEMBL4009226 0.75 ROCK2 (0.63) ROCK2IP6K1TEKKDREPHB4

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 594/4885IP6K1 941/4885TEK 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.