SCHEMBL13633479

SCHEMBL13633479

O=C(Cn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
LTA4H P09960 5/20 0.46
HTR7 P34969 8/20 0.45
HTR1A P08908 7/20 0.45
POLB P06746 1/20 0.44
KDM1A O60341 2/20 0.44

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 0.92 LTA4H (0.48) KCNA5LTA4HHTR7HTR1APOLB
SCHEMBL13633428 0.89 LTA4H (0.48) KCNA5LTA4HHTR7HTR1APOLB
SCHEMBL14232438 0.86 DRD4 (0.48)
SCHEMBL13633466 0.85 HTR1A (0.49) LTA4HHTR7HTR1APOLBKDM1A
SCHEMBL13633486 0.84 KCNA5 (0.51) KCNA5LTA4HHTR7HTR1A
SCHEMBL13633489 0.82 HTR1A (0.46) LTA4HHTR7HTR1APOLBKDM1A
SCHEMBL14232441 0.78 DRD4 (0.48) LTA4H
SCHEMBL14232766 0.77 FLT3 (0.47) LTA4HKDM1A
SCHEMBL13633474 0.77 HTR1A (0.54) LTA4HHTR7HTR1AKDM1A
SCHEMBL13633427 0.75 HTR1A (0.45) LTA4HHTR7HTR1AKDM1A

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 369/4885LTA4H 3639/4885HTR7 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.