SCHEMBL1242660

SCHEMBL1242660

CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)CCC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 5/20 0.54
ALOX15 P16050 2/20 0.54
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PDE3B Q13370 8/20 0.45
PDE3A Q14432 8/20 0.45
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL10385396 0.97 ALDH1A1 (0.58) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL10385859 0.84 KDM4E (0.50) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL1242686 0.83 GAA (0.52) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL31487022 0.78 GAA (0.77) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL31487000 0.74 GAA (0.72) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL7320978 0.74 GAA (0.72) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL711780 0.74 ALDH1A1 (0.65) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL1241154 0.74 ALDH1A1 (0.46) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL698276 0.73 MAPK1 (0.56) MAPK1GAAALDH1A1ALOX15KMT2A
SCHEMBL9216084 0.71 KMT2A (0.45) MAPK1GAAALDH1A1ALOX15KMT2A

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 MAPK1 1254/4885GAA 1758/4885ALDH1A1 2093/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MAPK1 1254/4885GAA 1758/4885ALDH1A1 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.