SCHEMBL5529004

SCHEMBL5529004

N#Cc1ccccc1N1CCN(c2c(F)cc3c(=O)ccn(-c4ccc(CN5CCCC5)cc4F)c3c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.38
TNK1 Q13470 5/20 0.38
TNK2 Q07912 3/20 0.38
TP53 P04637 1/20 0.38
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ADRA1D P25100 1/20 0.37
DRD2 P14416 3/20 0.36
HTR1A P08908 2/20 0.36
CHKA P35790 1/20 0.35
HTR7 P34969 1/20 0.35
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5525690 0.87 PARP1 (0.40) PARP1TNK1TNK2TP53ADRA1A
SCHEMBL5525019 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10
SCHEMBL5529068 0.85 TP53 (0.37) TP53ADRA1AADRA1BDRD2HTR1A
SCHEMBL5522872 0.84 MAPT (0.43) ADRA1BDRD2HTR1ADRD4DRD3
SCHEMBL5530513 0.84 MAPT (0.43) PARP1TNK1TNK2ADRA1AADRA1B
SCHEMBL5528190 0.82 STAT3 (0.43) TP53ALDH1A1KDM4EHSD17B10
SCHEMBL5535139 0.81 NPC1 (0.37) PARP1HTR1ADRD4ALDH1A1HTT
SCHEMBL5531534 0.80 PARP1 (0.43) PARP1TNK1TNK2HTR1AKDM4E
SCHEMBL5527455 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10
SCHEMBL5524887 0.76 PARP1 (0.41) PARP1TNK1TNK2DRD2ALDH1A1

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 PARP1 435/4885TNK1 2730/4885TNK2 832/4885

“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.