SCHEMBL13889587

SCHEMBL13889587

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPK14 Q16539 2/20 0.36
HPGD P15428 1/20 0.36
MCHR1 Q99705 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL13307241 0.85 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13633480 0.84 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13638402 0.84 TSHR (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307245 0.83 MAPK14 (0.43) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13633426 0.82 TSHR (0.47) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307128 0.81 ALDH1A1 (0.43) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307246 0.81 KDM4E (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL14384662 0.80 ALDH1A1 (0.46) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306857 0.80 ALDH1A1 (0.42) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307134 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 TSHR 2075/4885USP2 4796/4885ALOX15 1608/4885

“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.