SCHEMBL4830871

SCHEMBL4830871

Cc1nccn1Cc1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 14/20 0.44
CDK8 P49336 14/20 0.44
CDK19 Q9BWU1 2/20 0.44
RAB9A P51151 1/20 0.43
GRM2 Q14416 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4830854 1.00 CCNC (0.44) CCNCCDK8CDK19RAB9AGRM2
SCHEMBL4829051 0.90 CCNC (0.43) CCNCCDK8CDK19RAB9A
SCHEMBL4829046 0.90 CCNC (0.43) CCNCCDK8CDK19RAB9A
SCHEMBL4831234 0.90 CCNC (0.43) CCNCCDK8CDK19RAB9A
SCHEMBL4831244 0.90 CCNC (0.43) CCNCCDK8CDK19RAB9A
SCHEMBL4833616 0.89 CCNC (0.44) CCNCCDK8CDK19RAB9AGRM2
SCHEMBL4833603 0.89 CCNC (0.44) CCNCCDK8CDK19RAB9AGRM2
SCHEMBL4826317 0.86 CCNC (0.49) CCNCCDK8CDK19
SCHEMBL4826330 0.86 CCNC (0.49) 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.