SCHEMBL13307014

SCHEMBL13307014

C/C(=C\c1ccccc1)CN1CCN(c2nccn(CCOc3ccccc3)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KCNA5 P22460 4/20 0.39
HRH3 Q9Y5N1 2/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2C P18825 2/20 0.38
SLC6A4 P31645 2/20 0.38
AURKA O14965 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL13889793 0.86 TSHR (0.55) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13306872 0.86 TSHR (0.50) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13307016 0.85 SMN1; SMN2 (0.52) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13307028 0.83 TSHR (0.52) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13306870 0.83 TSHR (0.51) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13306949 0.82 TSHR (0.50) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13889591 0.80 TSHR (0.47) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13306868 0.79 ALDH1A1 (0.48) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13633482 0.78 HTR1A (0.54) SMN1; SMN2ALDH1A1KCNA5HRH3ADRA2C
SCHEMBL2641132 0.76 HTR2C (0.47) ALDH1A1KDM4ESLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013202-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 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 (1 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 USP2 4796/4885ALOX15 1608/4885TSHR 2075/4885

“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.