SCHEMBL2447555

SCHEMBL2447555

COc1c(C(C)(C)C)cc(-n2ccc(=O)[nH]c2=O)c2ncc(N3CC[C@H](CNS(C)(=O)=O)C3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IRAK1 P51617 1/20 0.34
DDR1 Q08345 4/20 0.32
SMO Q99835 1/20 0.32
ENPP1 P22413 2/20 0.32
GAK O14976 1/20 0.32
AURKA O14965 2/20 0.31
AURKB Q96GD4 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL12302371 0.84 KDM4E (0.33) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1702647 0.83 CRBN (0.38) CRBN
SCHEMBL2448595 0.81 AURKA (0.36) CRBNKDM4EALDH1A1MAPTALOX15
SCHEMBL2452207 0.81 IRAK1 (0.35) CRBNKDM4EALDH1A1MAPTALOX15
SCHEMBL1703017 0.81 IRAK1 (0.35) CRBNKDM4EALDH1A1MAPTALOX15
SCHEMBL1702753 0.81 IRAK1 (0.36) CRBNKDM4EALDH1A1MAPTALOX15
SCHEMBL1702751 0.81 IRAK1 (0.36) CRBNKDM4EALDH1A1MAPTALOX15
SCHEMBL3796409 0.80 CYP3A4 (0.40) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL2448864 0.80 CYP3A4 (0.40) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL2452968 0.80 IRAK1 (0.34) KDM4EALDH1A1MAPTALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 US disclosed
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 US disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 CRBN 2036/4885KDM4E 1276/4885ALDH1A1 1266/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 CRBN 3048/4885KDM4E 1344/4885ALDH1A1 2014/4885

“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.