SCHEMBL13306136

SCHEMBL13306136

CC(=O)Cc1ccc(CN2CCCC2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.57
BCHE P06276 3/20 0.57
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
CACNA1B Q00975 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 2/20 0.41

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
SCHEMBL14424032 0.85 ACHE (0.53) ACHEBCHEALDH1A1TSHRGFER
SCHEMBL2342398 0.82 ACHE (0.51) ACHEBCHEKDM4EALDH1A1TSHR
SCHEMBL5593151 0.80 ACHE (0.68) ACHEBCHEKDM4EALDH1A1HRH3
SCHEMBL15499985 0.76 KDM4E (0.58) KDM4EALDH1A1TSHR
SCHEMBL2014741 0.75 KDM4E (0.61) ACHEBCHEKDM4EALDH1A1GFER
SCHEMBL2483662 0.75 ACHE (0.51) ACHEBCHEKDM4EALDH1A1CACNA1B
SCHEMBL2486252 0.75 ACHE (0.51) ACHEBCHEKDM4EALDH1A1CACNA1B
SCHEMBL13339343 0.75 ACHE (0.51) ACHEBCHEKDM4EALDH1A1CACNA1B
SCHEMBL14423575 0.74 ACHE (0.54) ACHEBCHEKDM4EALDH1A1CACNA1B
SCHEMBL2487271 0.74 ACHE (0.52) ACHEBCHEKDM4EALDH1A1CACNA1B

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-20130035349-A1 PYRAZOLOPYRIMIDINONE KINASE INHIBITOR AGENNIX AG (DE) 2013-02-07 US disclosed
US-8304418-B2 Pyrazolopyrimidinone kinase inhibitor AGENNIX AG (DE) 2012-11-06 US disclosed
US-20100160350-A1 PYRAZOLOPYRIMIDINONE KINASE INHIBITOR AGENNIX AG (DE) 2010-06-24 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-20130035349-A1 PYRAZOLOPYRIMIDINONE KINASE INHIBITOR MAP3K19, MAP3K4, MAP3K1 ACHE 4863/4885BCHE 4845/4885KDM4E 870/4885
US-20100160350-A1 PYRAZOLOPYRIMIDINONE KINASE INHIBITOR MAP3K19, MAP3K4, MAP3K1 ACHE 4863/4885BCHE 4845/4885KDM4E 870/4885

“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.