SCHEMBL4834308

SCHEMBL4834308

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccccc2F)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.44
CCNC P24863 8/20 0.39
CDK8 P49336 8/20 0.39
NPY5R Q15761 1/20 0.37
IMPDH2 P12268 1/20 0.37
CDK19 Q9BWU1 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
NAMPT P43490 1/20 0.36
EGFR P00533 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTK2 Q05397 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL4825940 0.91 CCNC (0.40) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4829446 0.88 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4829431 0.88 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4829101 0.88 PLK1 (0.44) BTKCCNCCDK8NPY5RCDK19
SCHEMBL4829174 0.88 CCNC (0.43) BTKCCNCCDK8NPY5RCDK19
SCHEMBL1060125 0.86 BTK (0.41) BTKCCNCCDK8NPY5RCDK19
SCHEMBL4829084 0.86 BTK (0.41) BTKCCNCCDK8NPY5RCDK19
SCHEMBL4829335 0.85 BTK (0.45) BTKCCNCCDK8NPY5RCDK19
SCHEMBL4826509 0.84 KDM4E (0.49) BTKTP53MAPTKDM4EALDH1A1
SCHEMBL4826516 0.84 KDM4E (0.49) BTKTP53MAPTKDM4EALDH1A1

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 BTK 3555/4885CCNC 2548/4885CDK8 2963/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 BTK 3555/4885CCNC 2548/4885CDK8 2963/4885

“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.