SCHEMBL5528707

SCHEMBL5528707

CCOC(=O)c1cn(-c2ccc(CN3CCCC3)cc2)c2c(C#N)c(N3CCN(c4ccccn4)CC3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.46
HTT P42858 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.40
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
CSF1R P07333 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
SCHEMBL5533348 0.90 HTT (0.42) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5531815 0.90 HPGD (0.42) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5529474 0.87 HTT (0.40) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5519872 0.83 HTT (0.44) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5530135 0.82 KMT2A (0.40) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5525438 0.82 ALDH1A1 (0.45) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5529655 0.81 TOP1 (0.49) HTTKDM4EALDH1A1LMNAMAPK1
SCHEMBL5526737 0.81 HTT (0.40) STAT3HTTKDM4EALDH1A1KMT2A
SCHEMBL5526755 0.80 HPGD (0.45) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5522742 0.80 TOP1 (0.49) KDM4EALDH1A1LMNAHSD17B10HPGD

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 5 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
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 STAT3 642/4885HTT 3021/4885KDM4E 2571/4885

“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.