SCHEMBL4833828

SCHEMBL4833828

Cn1ncc(C=CC(=O)Nc2ccc(CCn3cccn3)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.47
CDK8 P49336 10/20 0.47
CDK19 Q9BWU1 2/20 0.47
KLKB1 P03952 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
NAMPT P43490 2/20 0.38
HPSE Q9Y251 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL4833810 1.00 CCNC (0.47) CCNCCDK8CDK19KLKB1KDM4E
SCHEMBL964368 0.92 KLKB1 (0.48) CCNCCDK8CDK19KLKB1KDM4E
SCHEMBL964371 0.92 KLKB1 (0.48) CCNCCDK8CDK19KLKB1KDM4E
SCHEMBL4836714 0.86 CCNC (0.51) CCNCCDK8CDK19SMN1; SMN2EGFR
SCHEMBL4836704 0.86 CCNC (0.51) CCNCCDK8CDK19SMN1; SMN2EGFR
SCHEMBL4833363 0.86 CCNC (0.49) CCNCCDK8CDK19NAMPTHDAC1
SCHEMBL4833378 0.86 CCNC (0.49) CCNCCDK8CDK19NAMPTHDAC1
SCHEMBL4836887 0.84 NAMPT (0.51) CCNCCDK8CDK19KDM4ESMN1; SMN2
SCHEMBL4836872 0.84 NAMPT (0.51) CCNCCDK8CDK19KDM4ESMN1; SMN2
SCHEMBL4826394 0.84 HPSE (0.49) CCNCCDK8CDK19SMN1; SMN2EGFR

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.