SCHEMBL4829446

SCHEMBL4829446

Cn1ncc(C=CC(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.42
CDK8 P49336 12/20 0.42
CDK19 Q9BWU1 2/20 0.39
NAMPT P43490 1/20 0.39
IMPDH2 P12268 1/20 0.38
ENPP2 Q13822 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4829431 1.00 CCNC (0.42) CCNCCDK8CDK19NAMPTIMPDH2
SCHEMBL4825940 0.90 CCNC (0.40) CCNCCDK8CDK19NAMPTIMPDH2
SCHEMBL4834308 0.88 BTK (0.44) CCNCCDK8CDK19NAMPTIMPDH2
SCHEMBL4831020 0.87 PLK1 (0.46) CCNCCDK8CDK19NAMPTLMNA
SCHEMBL4830994 0.87 PLK1 (0.46) CCNCCDK8CDK19NAMPTLMNA
SCHEMBL4827118 0.86 CCNC (0.47) CCNCCDK8CDK19PTGDR2RAB9A
SCHEMBL4827126 0.86 CCNC (0.47) CCNCCDK8CDK19PTGDR2RAB9A
SCHEMBL4831171 0.85 CCNC (0.44) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL4831155 0.85 CCNC (0.44) CCNCCDK8CDK19LMNASMN1; SMN2
SCHEMBL4834355 0.85 CCNC (0.44) CCNCCDK8CDK19LMNASMN1; SMN2

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 3 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

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.