SCHEMBL810696

SCHEMBL810696

CCSc1ncc2c(Nc3cc(C)ccc3Sc3ccc(OS(=O)(=O)c4ccccc4)cc3)ncnc2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
AKT2 P31751 1/20 0.43
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TNNI3K Q59H18 1/20 0.30

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
SCHEMBL810549 0.93 PIM1 (0.42) PIM1AKT2MAPTTNNI3K
SCHEMBL811668 0.89 PIM1 (0.38) PIM1AKT2MAPTHTTALDH1A1
SCHEMBL810685 0.88 PIM1 (0.46) PIM1AKT2MAPTHTT
SCHEMBL810876 0.88 PIM1 (0.40) PIM1AKT2MAPT
SCHEMBL810446 0.86 PIM1 (0.48) PIM1AKT2MAPTHTT
SCHEMBL821186 0.83 PIM1 (0.42) PIM1AKT2MAPTHTTSMN1; SMN2
SCHEMBL811759 0.82 PIM1 (0.49) PIM1AKT2MAPTHTTKDM4E
SCHEMBL811196 0.80 PIM1 (0.45) PIM1AKT2MAPTHTTALDH1A1
SCHEMBL811281 0.80 PIM1 (0.43) PIM1AKT2MAPTHTTALDH1A1
SCHEMBL811189 0.79 PIM1 (0.42) PIM1AKT2MAPTHTTALDH1A1

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 3903/4885MAPT 1347/4885

“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.