SCHEMBL13633480

SCHEMBL13633480

C/C(=C\c1ccccc1)CN1CCC(Nc2nccn(-c3ccc(Br)cc3)c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK14 Q16539 1/20 0.38
GRM1 Q13255 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL13307247 0.91 ALDH1A1 (0.45) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13638402 0.91 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307241 0.91 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307245 0.90 MAPK14 (0.43) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13633426 0.90 TSHR (0.47) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307246 0.88 KDM4E (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL14384662 0.87 ALDH1A1 (0.46) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306857 0.86 ALDH1A1 (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307134 0.86 ALDH1A1 (0.45) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13889587 0.84 TSHR (0.39) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1

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 TSHR 2130/4885USP2 4820/4885ALOX15 1591/4885

“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.