SCHEMBL1243820

SCHEMBL1243820

CCOC(=O)c1cn(C2CN(C)C2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
ADRB2 P07550 1/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 1/20 0.40
FOXO1 Q12778 1/20 0.40
PDE4B Q07343 1/20 0.39
CASP3 P42574 3/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL1242538 0.94 KMT2A (0.51) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL1242693 0.92 KMT2A (0.53) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL1243313 0.89 KMT2A (0.51) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL27656232 0.87 MEN1 (0.54) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL1242804 0.85 KMT2A (0.50) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL27635214 0.83 MEN1 (0.51) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL1241150 0.81 KMT2A (0.55) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL1241060 0.81 KMT2A (0.57) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL1242720 0.81 KMT2A (0.55) KMT2AMEN1GAAADRB2KDM4E
SCHEMBL27635209 0.80 KDM4E (0.52) KMT2AMEN1GAAKDM4EALDH1A1

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

“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.