SCHEMBL4869868

SCHEMBL4869868

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)Nc2ccc3c(=O)[nH]cnc3c2)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
TEK Q02763 10/20 0.41
KDR P35968 6/20 0.41
EPHB4 P54760 6/20 0.37
F10 P00742 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 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
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 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
SCHEMBL4876801 0.94 ROCK2 (0.47) ROCK2TEKKDREPHB4F10
SCHEMBL8213573 0.78 TEK (0.55) ROCK2TEKKDREPHB4L3MBTL1
SCHEMBL14003520 0.77 TEK (0.51) ROCK2TEKKDREPHB4ALDH1A1
SCHEMBL4870754 0.76 TET3 (0.50) HSD11B1
SCHEMBL4879638 0.74 APP (0.43) ALDH1A1TSHRHSD11B1
SCHEMBL14003483 0.71 ROCK2 (0.59) ROCK2TEKKDREPHB4EGFR
SCHEMBL119410 0.70 KMT2A (0.49) HSD11B1
SCHEMBL20882116 0.69 TEK (0.55) ROCK2TEKKDREPHB4EGFR
SCHEMBL5197854 0.69 OPRM1 (0.47) HSD11B1
SCHEMBL4630450 0.68 SMN1; SMN2 (0.37) L3MBTL1ALDH1A1SMN1; SMN2IDO1TSHR

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.