SCHEMBL4834890

SCHEMBL4834890

CCn1nc(Cc2ccc(NC(=O)C=Cc3cnn(C)c3-c3ccc(F)cc3)cc2)oc1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.44
CDK8 P49336 12/20 0.44
CDK19 Q9BWU1 2/20 0.44
HPSE Q9Y251 2/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
IL2 P60568 1/20 0.35
GRM5 P41594 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
SCHEMBL4834869 1.00 CCNC (0.44) CCNCCDK8CDK19HPSECA12
SCHEMBL4834565 0.92 CCNC (0.44) CCNCCDK8CDK19HPSECA12
SCHEMBL4834553 0.92 CCNC (0.44) CCNCCDK8CDK19HPSECA12
SCHEMBL4834252 0.85 CCNC (0.46) CCNCCDK8CDK19HPSE
SCHEMBL4834240 0.85 CCNC (0.46) CCNCCDK8CDK19HPSE
SCHEMBL4836721 0.83 CCNC (0.47) CCNCCDK8CDK19HPSE
SCHEMBL4831061 0.83 CCNC (0.43) CCNCCDK8CDK19HPSECA12
SCHEMBL4836736 0.83 CCNC (0.47) CCNCCDK8CDK19HPSE
SCHEMBL4831075 0.83 CCNC (0.43) CCNCCDK8CDK19HPSECA12
SCHEMBL4836216 0.83 CCNC (0.46) CCNCCDK8CDK19HPSECA12

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.