SCHEMBL811529

SCHEMBL811529

Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C4CC4)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.52
AKT2 P31751 1/20 0.52
RIPK2 O43353 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL811349 0.96 PIM1 (0.51) PIM1AKT2RIPK2HSD17B10GAA
SCHEMBL811422 0.95 PIM1 (0.50) PIM1AKT2RIPK2HSD17B10GAA
SCHEMBL810287 0.91 PIM1 (0.42) PIM1AKT2HSD17B10HTT
SCHEMBL810538 0.90 PIM1 (0.46) PIM1AKT2HSD17B10HTT
SCHEMBL811084 0.89 PIM1 (0.47) PIM1AKT2HSD17B10NCOA1NCOA3
SCHEMBL810722 0.88 PIM1 (0.41) PIM1AKT2HSD17B10GAA
SCHEMBL811431 0.86 PIM1 (0.66) PIM1AKT2HSD17B10GAANCOA1
SCHEMBL810711 0.86 PIM1 (0.44) PIM1AKT2HSD17B10HTT
SCHEMBL811135 0.84 PIM1 (0.40) PIM1AKT2HSD17B10GAA
SCHEMBL811423 0.84 PIM1 (0.57) PIM1AKT2HTT

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 3903/4885RIPK2 3496/4885

“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.