SCHEMBL4833668

SCHEMBL4833668

Cn1ncc(C=CC(=O)Nc2ccc(Cn3ncc4ccccc43)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
CCNC P24863 9/20 0.42
CDK8 P49336 9/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
NAMPT P43490 1/20 0.41
CDK19 Q9BWU1 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC2 Q92769 1/20 0.39
CACNA1H O95180 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
SCHEMBL4833654 1.00 BRD4 (0.42) BRD4CCNCCDK8PTGDR2NAMPT
SCHEMBL4829378 0.87 LMNA (0.47) CCNCCDK8PTGDR2CDK19KDM4E
SCHEMBL4829388 0.87 LMNA (0.47) CCNCCDK8PTGDR2CDK19KDM4E
SCHEMBL4829229 0.85 CCNC (0.45) CCNCCDK8PTGDR2CDK19KDM4E
SCHEMBL4829220 0.85 CCNC (0.45) CCNCCDK8PTGDR2CDK19KDM4E
SCHEMBL4834431 0.85 GRM2 (0.46) CCNCCDK8CDK19KDM4ESMN1; SMN2
SCHEMBL4834441 0.85 GRM2 (0.46) CCNCCDK8CDK19KDM4ESMN1; SMN2
SCHEMBL4833758 0.84 HDAC2 (0.44) CCNCCDK8PTGDR2CDK19KDM4E
SCHEMBL4833742 0.84 HDAC2 (0.44) CCNCCDK8PTGDR2CDK19KDM4E
SCHEMBL966355 0.84 CCNC (0.46) CCNCCDK8CDK19SMN1; 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 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 BRD4 2051/4885CCNC 2548/4885CDK8 2963/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 BRD4 2051/4885CCNC 2548/4885CDK8 2963/4885

“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.