SCHEMBL2453835

SCHEMBL2453835

CCN(C(=O)OC(C)(C)C)n1c(C)c(C(=O)OC)c2ncccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.37
KAT2B Q92831 1/20 0.36
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DTYMK P23919 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL2370137 0.90 KDM4E (0.39) KDM4ESMN1; SMN2MAPTPOLBBRD4
SCHEMBL6857665 0.81 NAMPT (0.34) KDM4ESMN1; SMN2MAPTKAT2BMAPK1
SCHEMBL2453838 0.74 KDM4E (0.38) KDM4ESMN1; SMN2MAPTBRD4KAT2B
SCHEMBL6857387 0.74 KDM4E (0.34) KDM4ESMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL2453240 0.73 KDM5A (0.34) KDM4ESMN1; SMN2MAPTBRD4KAT2B
SCHEMBL22195274 0.70 MEN1 (0.35) KDM4EBRD4
SCHEMBL2381471 0.69 NAMPT (0.33)
SCHEMBL2369631 0.66 KDM5A (0.40) KDM4ESMN1; SMN2POLB
SCHEMBL2370142 0.65 CALCA (0.36) KDM4ESMN1; SMN2MAPTPOLBBRD4
SCHEMBL2370205 0.65 TDP1 (0.34) KDM4ESMN1; SMN2MAPTPOLBNPSR1

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-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-07-25 US disclosed
US-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-09-15 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-20110224247-A1 AZAISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, KCND3 KDM4E 1390/4885SMN1; SMN2 3378/4885MAPT 2678/4885
US-20130190499-A1 Azaisoquinolinone derivatives as NK3 antagonists KCNQ3, KCNK3, KCND3 KDM4E 1390/4885SMN1; SMN2 3378/4885MAPT 2678/4885

“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.