SCHEMBL5519912

SCHEMBL5519912

N#Cc1cccnc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(CN5CCCC5)cc4)c3c2OC(F)(F)Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
TNK2 Q07912 1/20 0.38
TNK1 Q13470 1/20 0.38
TOP1 P11387 4/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ABCC1 P33527 2/20 0.36
ABCB1 P08183 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL5525447 0.95 PARP1 (0.39) PARP1TNK2TNK1TOP1KDM4E
SCHEMBL5527443 0.92 TOP1 (0.46) PARP1TNK2TNK1TOP1KDM4E
SCHEMBL5524995 0.90 TOP1 (0.38) PARP1TOP1KDM4EALDH1A1POLB
SCHEMBL5525220 0.89 PIK3CG (0.37) PARP1TOP1KDM4EALDH1A1POLB
SCHEMBL14417363 0.89 KDM4E (0.42) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5525061 0.89 TOP1 (0.36) PARP1TOP1KDM4EALDH1A1HPGD
SCHEMBL5529726 0.89 CYP3A4 (0.42) PARP1TNK2TNK1KDM4EALDH1A1
SCHEMBL5523363 0.87 HPGD (0.41) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5530782 0.86 HPGD (0.46) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5528922 0.86 HPGD (0.42) PARP1TNK2TNK1TOP1KDM4E

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 6 patents. 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
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS PARP1 435/4885TNK2 832/4885TNK1 2730/4885

“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.