SCHEMBL13633486

SCHEMBL13633486

O=C(Cn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O)Nc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.51
HTR1A P08908 4/20 0.48
HTR7 P34969 4/20 0.48
DRD2 P14416 4/20 0.45
HTR6 P50406 2/20 0.45
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1G O43497 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL13633425 0.86 LTA4H (0.48) KCNA5HTR1AHTR7DRD2HTR6
SCHEMBL13633428 0.84 LTA4H (0.48) KCNA5HTR1AHTR7DRD2HTR6
SCHEMBL13633479 0.84 KCNA5 (0.47) KCNA5HTR1AHTR7LTA4H
SCHEMBL13633466 0.81 HTR1A (0.49) HTR1AHTR7DRD2HTR6LTA4H
SCHEMBL13499489 0.79 KCNA5 (0.55) KCNA5HTR1AHTR7DRD2CACNA1G
SCHEMBL13633489 0.77 HTR1A (0.46) HTR1AHTR7DRD2HTR6LTA4H
SCHEMBL13633474 0.72 HTR1A (0.54) HTR1AHTR7DRD2HTR6LTA4H
SCHEMBL14232441 0.72 DRD4 (0.48) LTA4H
SCHEMBL14232766 0.71 FLT3 (0.47) LTA4H
SCHEMBL13633427 0.71 HTR1A (0.45) HTR1AHTR7DRD2HTR6LTA4H

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
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 US disclosed
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 US disclosed
WO-2007135131-A9 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-03 WO disclosed
WO-2007135131-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 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-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 KCNA5 369/4885HTR1A 130/4885HTR7 388/4885

“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.