SCHEMBL13633426

SCHEMBL13633426

C/C(=C\c1ccccc1)CN1CCC(Nc2nccn(-c3ccc(N4CCCCC4)cc3)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK14 Q16539 2/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 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
SCHEMBL13633480 0.90 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13638402 0.90 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307241 0.90 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307245 0.89 MAPK14 (0.43) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306855 0.87 ALDH1A1 (0.49) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307246 0.86 KDM4E (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13889579 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDKMT2AL3MBTL1
SCHEMBL14384662 0.85 ALDH1A1 (0.46) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306857 0.85 ALDH1A1 (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307134 0.85 ALDH1A1 (0.45) 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.