SCHEMBL810785

SCHEMBL810785

CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(-c4ccccc4)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
AKT2 P31751 1/20 0.45
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
SRC P12931 1/20 0.39
GSK3B P49841 1/20 0.39
AURKC Q9UQB9 1/20 0.39
PKM P14618 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
SCHEMBL810712 0.88 PIM1 (0.48) PIM1AKT2KDM4EMAPTMEN1
SCHEMBL811423 0.87 PIM1 (0.57) PIM1AKT2KDM4EMAPTMEN1
SCHEMBL811136 0.87 PIM1 (0.41) PIM1AKT2KDM4EALDH1A1PDE10A
SCHEMBL810155 0.86 PIM1 (0.44) PIM1AKT2KDM4EALDH1A1MAPT
SCHEMBL810616 0.86 PIM1 (0.44) PIM1AKT2KDM4EALDH1A1MAPT
SCHEMBL810722 0.85 PIM1 (0.41) PIM1AKT2AURKBKDM4EALDH1A1
SCHEMBL810610 0.85 PIM1 (0.42) PIM1AKT2KDM4EALDH1A1MAPT
SCHEMBL810229 0.85 KDM4E (0.42) PIM1AKT2AURKAAURKBKDM4E
SCHEMBL811135 0.84 PIM1 (0.40) PIM1AKT2AURKBKDM4EALDH1A1
SCHEMBL810784 0.83 PIM1 (0.40) PIM1AKT2AURKBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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 (1 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885AURKA 2172/4885

“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.