SCHEMBL5525690

SCHEMBL5525690

N#Cc1ccc(N2CCN(c3c(F)cc4c(=O)ccn(-c5ccc(CN6CCCC6)cc5F)c4c3Cl)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.40
TNK1 Q13470 5/20 0.40
TNK2 Q07912 4/20 0.40
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
GNRHR P30968 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
DRD4 P21917 6/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL5522872 0.91 MAPT (0.43) ADRA1BDRD4DRD2DRD3KDM4E
SCHEMBL5530513 0.91 MAPT (0.43) PARP1TNK1TNK2ADRA1DADRA1A
SCHEMBL5529004 0.87 PARP1 (0.38) PARP1TNK1TNK2ADRA1DADRA1A
SCHEMBL5526799 0.85 ALDH1A1 (0.46) PARP1TNK1TNK2KDM4EHRH3
SCHEMBL5530846 0.85 DRD2 (0.39) PARP1PARP2DRD4DRD2DRD3
SCHEMBL5535139 0.79 NPC1 (0.37) PARP1GNRHRDRD4KDM4E
SCHEMBL5531534 0.78 PARP1 (0.43) PARP1TNK1TNK2KDM4E
SCHEMBL5528656 0.76 KDM4E (0.49) KDM4EHRH3
SCHEMBL5523950 0.76 ALDH1A1 (0.49) KDM4EHRH3
SCHEMBL5527313 0.75 HRH3 (0.41) PARP1TNK1TNK2PARP2KDM4E

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.