SCHEMBL4829101

SCHEMBL4829101

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2cccc3ccccc23)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
NPY5R Q15761 1/20 0.42
BTK Q06187 2/20 0.41
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PTK2 Q05397 3/20 0.36
CDK19 Q9BWU1 1/20 0.36
NAMPT P43490 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
PTGS2 P35354 2/20 0.35
EGFR P00533 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4827131 0.92 PLK1 (0.43) PLK1CCNCCDK8PTK2CDK19
SCHEMBL4830994 0.89 PLK1 (0.46) PLK1CCNCCDK8CDK19NAMPT
SCHEMBL4831020 0.89 PLK1 (0.46) PLK1CCNCCDK8CDK19NAMPT
SCHEMBL4834308 0.88 BTK (0.44) NPY5RBTKCCNCCDK8CCNT1
SCHEMBL4829174 0.86 CCNC (0.43) NPY5RBTKCCNCCDK8CDK19
SCHEMBL4826509 0.82 KDM4E (0.49) BTKPTGDR2
SCHEMBL4826516 0.82 KDM4E (0.49) BTKPTGDR2
SCHEMBL6432546 0.82 PLK1 (0.44) PLK1CCNCCDK8CDK19NAMPT
SCHEMBL4829197 0.82 HDAC1 (0.41) BTKCCNCCDK8CDK19EGFR
SCHEMBL4834605 0.82 BTK (0.45) BTKCCNCCDK8CCNT1CDK9

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PLK1 4766/4885NPY5R 513/4885BTK 3555/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PLK1 4766/4885NPY5R 513/4885BTK 3555/4885

“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.