SCHEMBL969473

SCHEMBL969473

COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
ALDH1A1 P00352 4/20 0.68
HPGD P15428 4/20 0.68
KCNH2 Q12809 3/20 0.68
POLB P06746 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
HSD17B10 Q99714 2/20 0.68
PRKD3 O94806 1/20 0.68
ALOX15 P16050 1/20 0.68
OPRM1 P35372 1/20 0.68
CLK2 P49760 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.46
TOP1 P11387 1/20 0.44

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
SCHEMBL12917298 0.92 KDM4E (0.56) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL964501 0.92 KDM4E (0.56) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL13744887 0.91 KDM4E (0.63) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917340 0.90 KDM4E (0.52) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917339 0.88 KDM4E (0.51) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12427409 0.87 KCNH2 (0.55) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL13744411 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917506 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917447 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917316 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDKCNH2POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
WO-2007003308-A1 SUBSTITUTED QUINOLONES II AICURIS GMBH & CO. KG (DE) 2007-01-11 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 (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-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B KDM4E 2492/4885ALDH1A1 1587/4885HPGD 822/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 KDM4E 1489/4885ALDH1A1 2853/4885HPGD 1061/4885

“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.