SCHEMBL5527313

SCHEMBL5527313

N#Cc1ccc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(-c5ccc(CN6CCCC6)cc5F)c4c3Cl)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 7/20 0.41
TNK2 Q07912 2/20 0.41
TNK1 Q13470 2/20 0.41
TOP2A P11388 6/20 0.40
TOP1 P11387 5/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TOP2B Q02880 2/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CHRM4 P08173 2/20 0.38
PARP2 Q9UGN5 1/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL5526799 0.89 ALDH1A1 (0.46) HRH3PARP1TNK2TNK1TOP2A
SCHEMBL5528959 0.87 HRH3 (0.42) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5525019 0.85 ALDH1A1 (0.44) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5525392 0.85 KDM4E (0.44) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5524887 0.84 PARP1 (0.41) HRH3PARP1TNK2TNK1TOP2A
SCHEMBL5525156 0.83 HPGD (0.48) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5528656 0.83 KDM4E (0.49) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5523950 0.83 ALDH1A1 (0.49) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5528950 0.82 CYP3A4 (0.42) HRH3TOP2ATOP1KDM4EALDH1A1
SCHEMBL5531249 0.81 CYP3A4 (0.42) HRH3PARP1TNK2TNK1TOP2A

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 4 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 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 HRH3 494/4885PARP1 435/4885TNK2 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.