SCHEMBL1243574

SCHEMBL1243574

CCOC(=O)c1c2n(c3cc(NC4CCCCC4)c(F)cc3c1=O)C(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 2/20 0.42
CASP3 P42574 10/20 0.39
PDE4B Q07343 2/20 0.38
BRD4 O60885 1/20 0.37
FOXO1 Q12778 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
SCHEMBL4493859 0.84 GAA (0.52) MEN1GAAKMT2AALOX15CASP3
SCHEMBL1242686 0.83 GAA (0.52) MEN1GAAKMT2AALOX15CASP3
SCHEMBL1243899 0.78 MEN1 (0.50) MEN1GAAKMT2AALOX15CASP3
SCHEMBL1243945 0.76 MEN1 (0.49) MEN1GAAKMT2AALOX15CASP3
SCHEMBL15598864 0.73 HSD17B10 (0.35) GAAKMT2AALOX15FOXO1
SCHEMBL1241150 0.73 KMT2A (0.55) MEN1GAAKMT2AALOX15CASP3
SCHEMBL1242560 0.72 GAA (0.49) MEN1GAAKMT2AFOXO1
SCHEMBL1243877 0.72 GAA (0.44) MEN1GAAKMT2AALOX15CASP3
SCHEMBL1242720 0.72 KMT2A (0.55) MEN1GAAKMT2AALOX15CASP3
SCHEMBL1243548 0.72 KMT2A (0.59) MEN1GAAKMT2AALOX15BRD4

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 MEN1 2643/4885GAA 1758/4885KMT2A 2659/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MEN1 2643/4885GAA 1758/4885KMT2A 2659/4885

“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.