SCHEMBL5529697

SCHEMBL5529697

N#Cc1cccnc1N1CCN(c2c(F)cc3c(=O)ccn(-c4ccc(CN5CCCC5)nc4)c3c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
PARP1 P09874 1/20 0.38
TNK2 Q07912 1/20 0.38
TNK1 Q13470 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
DRD4 P21917 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
SCHEMBL5530837 0.89 MTOR (0.39) DRD2HTR2APARP1TNK2TNK1
SCHEMBL5525246 0.87 CYP3A4 (0.40) DRD2HTR2APARP1TNK2TNK1
SCHEMBL5525437 0.83 DRD4 (0.37) DRD2HTR1AMAPTDRD4
SCHEMBL5528273 0.83 MAPT (0.39) DRD2HTR1AALDH1A1MAPTDRD4
SCHEMBL5529726 0.78 CYP3A4 (0.42) DRD2HTR2APARP1TNK2TNK1
SCHEMBL5525909 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL5529068 0.77 TP53 (0.37) DRD2HTR1AHTR7MTORRPTOR
SCHEMBL5529630 0.76 ALDH1A1 (0.42) DRD2HTR2APARP1TNK2TNK1
SCHEMBL5530913 0.74 KDM4E (0.44) ALDH1A1
SCHEMBL5524887 0.73 PARP1 (0.41) DRD2HTR2APARP1TNK2TNK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US claimed

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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS DRD2 3639/4885HTR2A 2650/4885PARP1 435/4885

“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.