SCHEMBL4876801

SCHEMBL4876801

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)Nc2ccc3c(=O)[nH]cnc3c2)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
TEK Q02763 10/20 0.41
KDR P35968 6/20 0.40
EPHB4 P54760 5/20 0.39
F10 P00742 1/20 0.36
EPHX2 P34913 1/20 0.35
KHK P50053 1/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
OPRD1 P41143 1/20 0.34
KCNH2 Q12809 1/20 0.34
PARP1 P09874 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4869868 0.94 ROCK2 (0.43) ROCK2TEKKDREPHB4F10
SCHEMBL14003483 0.77 ROCK2 (0.59) ROCK2TEKKDREPHB4KHK
SCHEMBL119410 0.76 KMT2A (0.49) EPHX2OPRD1KCNH2MEN1CYP1A2
SCHEMBL4873237 0.72 HSD11B1 (0.43) OPRD1KCNH2MEN1KMT2A
SCHEMBL20882116 0.70 TEK (0.55) ROCK2TEKKDREPHB4EGFR
SCHEMBL8213573 0.70 TEK (0.55) ROCK2TEKKDREPHB4EGFR
SCHEMBL4870754 0.69 TET3 (0.50) CYP2D6KMT2A
SCHEMBL22960725 0.69 KMT2A (0.42) EPHX2OPRD1MEN1CYP3A4CYP2C9
SCHEMBL3015079 0.69 KMT2A (0.42) EPHX2OPRD1KCNH2MEN1KMT2A
SCHEMBL30089214 0.69 KMT2A (0.42) EPHX2OPRD1MEN1CYP3A4CYP2C9

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 594/4885TEK 2388/4885KDR 919/4885

“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.