SCHEMBL13633428

SCHEMBL13633428

COC(=O)Cn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.48
KDM1A O60341 2/20 0.47
POLB P06746 1/20 0.46
HTR1A P08908 6/20 0.45
HTR7 P34969 6/20 0.45
HRH1 P35367 1/20 0.45
KCNA5 P22460 3/20 0.43
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 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 0.92 LTA4H (0.48) LTA4HKDM1APOLBHTR1AHTR7
SCHEMBL13633479 0.89 KCNA5 (0.47) LTA4HKDM1APOLBHTR1AHTR7
SCHEMBL13633466 0.88 HTR1A (0.49) LTA4HKDM1APOLBHTR1AHTR7
SCHEMBL14232766 0.86 FLT3 (0.47) LTA4HKDM1A
SCHEMBL13633486 0.84 KCNA5 (0.51) LTA4HHTR1AHTR7KCNA5DRD2
SCHEMBL13633489 0.82 HTR1A (0.46) LTA4HKDM1APOLBHTR1AHTR7
SCHEMBL13633474 0.77 HTR1A (0.54) LTA4HKDM1AHTR1AHTR7DRD2
SCHEMBL14232441 0.76 DRD4 (0.48) LTA4H
SCHEMBL13633427 0.75 HTR1A (0.45) LTA4HKDM1AHTR1AHTR7DRD2
SCHEMBL14232438 0.75 DRD4 (0.48)

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 LTA4H 3639/4885KDM1A 3474/4885POLB 1789/4885

“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.