SCHEMBL4831244

SCHEMBL4831244

CCc1nccn1Cc1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.43
CDK8 P49336 13/20 0.43
CDK19 Q9BWU1 2/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4831234 1.00 CCNC (0.43) CCNCCDK8CDK19RAB9AHSP90AA1
SCHEMBL4829046 0.93 CCNC (0.43) CCNCCDK8CDK19RAB9AHSP90AA1
SCHEMBL4829051 0.93 CCNC (0.43) CCNCCDK8CDK19RAB9AHSP90AA1
SCHEMBL4830871 0.90 CCNC (0.44) CCNCCDK8CDK19RAB9A
SCHEMBL4830854 0.90 CCNC (0.44) CCNCCDK8CDK19RAB9A
SCHEMBL4833616 0.87 CCNC (0.44) CCNCCDK8CDK19RAB9A
SCHEMBL4833603 0.87 CCNC (0.44) CCNCCDK8CDK19RAB9A
SCHEMBL4826317 0.85 CCNC (0.49) CCNCCDK8CDK19
SCHEMBL4826330 0.85 CCNC (0.49) CCNCCDK8CDK19
SCHEMBL964371 0.84 KLKB1 (0.48) 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.