SCHEMBL5524995

SCHEMBL5524995

CN(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ncccc5C#N)CC4)c(OC(F)(F)Cl)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.38
PARP1 P09874 2/20 0.37
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 4/20 0.35
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADRA2B P18089 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 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
SCHEMBL5525061 0.94 TOP1 (0.36) TOP1PARP1HPGDHSD17B10KDM4E
SCHEMBL5525220 0.94 PIK3CG (0.37) TOP1PARP1HPGDHSD17B10KDM4E
SCHEMBL5519912 0.90 PARP1 (0.38) TOP1PARP1HPGDHSD17B10KDM4E
SCHEMBL5523954 0.89 TOP1 (0.40) TOP1HPGDHSD17B10KDM4EPIK3CG
SCHEMBL5526324 0.87 TOP1 (0.40) TOP1HPGDHSD17B10KDM4EPIK3CG
SCHEMBL5525447 0.86 PARP1 (0.39) TOP1PARP1HPGDHSD17B10KDM4E
SCHEMBL5525084 0.86 HPGD (0.39) TOP1HPGDHSD17B10KDM4EPIK3CG
SCHEMBL5531380 0.85 TOP1 (0.43) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5524273 0.84 TOP1 (0.44) TOP1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL5526754 0.84 TOP1 (0.40) TOP1HPGDHSD17B10KDM4EALDH1A1

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 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

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 TOP1 39/4885PARP1 435/4885HPGD 150/4885

“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.