SCHEMBL13626336

SCHEMBL13626336

CCNC(=O)c1cccc(-c2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.61
CDK8 P49336 1/20 0.58
CDK4 P11802 1/20 0.57
CCND1 P24385 1/20 0.57
PDE2A O00408 1/20 0.53
GAA P10253 1/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
THRB P10828 1/20 0.51
ABL1 P00519 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
EGFR P00533 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
ROCK2 O75116 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL13702258 0.89 GAA (0.52) KMOCDK8PDE2AGAAMKNK1
SCHEMBL13702281 0.87 CDK8 (0.60) KMOCDK8CDK4CCND1ABL1
SCHEMBL10242934 0.87 SMN1; SMN2 (0.65) KMOCDK4CCND1ABL1KMT2A
SCHEMBL13702255 0.86 CYP2A6 (0.52) CDK8PDE2AGAATHRBABL1
SCHEMBL14082529 0.85 MKNK1 (0.70) PDE2AGAAMKNK1MKNK2
SCHEMBL13626335 0.85 AURKA (0.64) CDK8SIRT2ROCK2CTSB
SCHEMBL1399704 0.84 KMO (0.67) KMOCDK4CCND1MKNK1MKNK2
SCHEMBL14507768 0.84 MKNK1 (0.72) KMOCDK8CDK4CCND1MKNK1
SCHEMBL13702257 0.83 CDK8 (0.62) CDK8MKNK2ROCK2
SCHEMBL31314589 0.83 THRB (0.72) GAATHRBKMT2AMEN1

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR KMO 3712/4885CDK8 1408/4885CDK4 521/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX KMO 838/4885CDK8 960/4885CDK4 1615/4885

“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.