SCHEMBL1242686

SCHEMBL1242686

CCOC(=O)c1c2n(c3cc(NC4CCCCC4)c(F)cc3c1=O)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ALOX15 P16050 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.46
CASP3 P42574 9/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE4B Q07343 1/20 0.38
TSHR P16473 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
SCHEMBL262303 0.86 GAA (0.48) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL10385396 0.86 ALDH1A1 (0.58) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL1243574 0.83 MEN1 (0.50) GAAALOX15MEN1KMT2ACASP3
SCHEMBL1242660 0.83 MAPK1 (0.58) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL262175 0.81 GAA (0.48) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL4493859 0.80 GAA (0.52) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL10385859 0.79 KDM4E (0.50) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL1243899 0.78 MEN1 (0.50) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL1243945 0.74 MEN1 (0.49) GAAALOX15ALDH1A1MEN1KMT2A
SCHEMBL1243987 0.73 MEN1 (0.46) GAAALDH1A1MEN1KMT2A

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-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP 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 (2 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS GAA 1758/4885ALOX15 1885/4885ALDH1A1 2093/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS GAA 1758/4885ALOX15 1885/4885ALDH1A1 2093/4885

“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.