SCHEMBL13626335

SCHEMBL13626335

CCNC(=O)c1cccc(-c2ccncc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.64
CDK8 P49336 1/20 0.57
ROCK2 O75116 5/20 0.52
ROCK1 Q13464 5/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NAMPT P43490 1/20 0.48
CTSB P07858 1/20 0.48
PRKACA P17612 2/20 0.48
GSK3A P49840 2/20 0.48

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
SCHEMBL4439622 0.87 HDAC8 (0.64) CDK8MAPK1KDM4EALDH1A1HPGD
SCHEMBL13626336 0.85 KMO (0.61) CDK8ROCK2SIRT2CTSB
SCHEMBL13702281 0.84 CDK8 (0.60) AURKACDK8MAPK1KDM4EALDH1A1
SCHEMBL13702385 0.83 MEN1 (0.61) CDK8MAPK1KDM4EALDH1A1HPGD
SCHEMBL13702254 0.83 NR1H4 (0.60) CDK8MAPK1KDM4EALDH1A1HPGD
SCHEMBL1850444 0.81 AURKA (0.47) AURKACDK8ROCK2ROCK1CYP3A4
SCHEMBL13702348 0.81 CDK8 (0.56) CDK8MAPK1KDM4EALDH1A1HPGD
SCHEMBL13702256 0.81 CDK8 (0.56) CDK8MAPK1KDM4EALDH1A1HPGD
SCHEMBL3238803 0.81 SIRT2 (0.58) AURKAROCK2CYP3A4SMN1; SMN2SIRT2
SCHEMBL13702395 0.81 AOC3 (0.54) CDK8ROCK2CYP3A4MAPK1KDM4E

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 2 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

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 AURKA 1273/4885CDK8 1408/4885ROCK2 2329/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX AURKA 4497/4885CDK8 960/4885ROCK2 2125/4885

“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.