SCHEMBL13307128

SCHEMBL13307128

C/C(=C\c1ccccc1)CN1CCC(Nc2nccn(CCCNCc3ccccc3)c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 5/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL13307130 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13306852 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13307129 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHR
SCHEMBL13889594 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13306858 0.84 KDM4E (0.41) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13889587 0.81 TSHR (0.39) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13306994 0.81 KDM4E (0.40) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13889577 0.81 KDM4E (0.37) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13889576 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL13307295 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHR

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 ALDH1A1 710/4885KDM4E 3069/4885HPGD 243/4885

“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.