SCHEMBL4825940

SCHEMBL4825940

COP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccccc2F)cc1)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.40
CDK8 P49336 9/20 0.40
IMPDH2 P12268 1/20 0.40
CDK19 Q9BWU1 2/20 0.38
NAMPT P43490 1/20 0.37
PTK2 Q05397 1/20 0.37
ABCB1 P08183 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 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
SCHEMBL4834308 0.91 BTK (0.44) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4829446 0.90 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4829431 0.90 CCNC (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4827131 0.88 PLK1 (0.43) CCNCCDK8CDK19NAMPTPTK2
SCHEMBL4834010 0.87 CCNC (0.45) CCNCCDK8CDK19HDAC1HDAC2
SCHEMBL4833889 0.85 CCNC (0.42) CCNCCDK8CDK19HDAC1HDAC2
SCHEMBL4827070 0.84 NPC1 (0.42) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL6437872 0.83 CCNC (0.41) CCNCCDK8IMPDH2CDK19NAMPT
SCHEMBL4834038 0.83 HDAC1 (0.44) CCNCCDK8CDK19HDAC1HDAC2
SCHEMBL4831295 0.82 ALDH1A1 (0.40) CCNCCDK8IMPDH2CDK19NPC1

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 CCNC 2548/4885CDK8 2963/4885IMPDH2 2292/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885IMPDH2 2292/4885

“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.