SCHEMBL4831313

SCHEMBL4831313

Cn1ncc(/C=C/C(=O)Nc2ccc(Cn3cncn3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 17/20 0.46
CDK8 P49336 17/20 0.46
CDK19 Q9BWU1 2/20 0.44
HDAC2 Q92769 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4831327 1.00 CCNC (0.46) CCNCCDK8CDK19HDAC2FLT1
SCHEMBL4834210 0.86 ALDH1A1 (0.55) CCNCCDK8CDK19HDAC2
SCHEMBL4834220 0.86 ALDH1A1 (0.55) CCNCCDK8CDK19HDAC2
SCHEMBL4826317 0.86 CCNC (0.49) CCNCCDK8CDK19
SCHEMBL4826330 0.86 CCNC (0.49) CCNCCDK8CDK19
SCHEMBL964371 0.85 KLKB1 (0.48) CCNCCDK8CDK19HDAC2HDAC1
SCHEMBL963865 0.85 CCNC (0.47) CCNCCDK8CDK19
SCHEMBL964368 0.85 KLKB1 (0.48) CCNCCDK8CDK19HDAC2HDAC1
SCHEMBL963864 0.85 CCNC (0.47) CCNCCDK8CDK19
SCHEMBL4834331 0.85 CCNC (0.45) CCNCCDK8CDK19

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 2963/4885CDK19 2585/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885CDK19 2585/4885

“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.