SCHEMBL810692

SCHEMBL810692

CCCc1cnc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPKAPK2 P49137 1/20 0.32
MKNK1 Q9BUB5 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL810548 0.86 PIM1 (0.49) PIM1AKT2MAPTHTTKDM4E
SCHEMBL810890 0.81 PIM1 (0.49) PIM1AKT2MAPTHTTKDM4E
SCHEMBL810954 0.77 PIM1 (0.58) PIM1AKT2MAPTHTTKDM4E
SCHEMBL811175 0.77 PIM1 (0.56) PIM1AKT2HTTKDM4EHSD17B10
SCHEMBL810263 0.76 PIM1 (0.47) PIM1AKT2HTTKDM4EHSD17B10
SCHEMBL810196 0.76 PIM1 (0.44) PIM1AKT2MAPTHTTKDM4E
SCHEMBL810712 0.76 PIM1 (0.48) PIM1AKT2MAPTHTTKDM4E
SCHEMBL810966 0.75 PIM1 (0.46) PIM1AKT2MAPTHTTKDM4E
SCHEMBL811189 0.74 PIM1 (0.42) PIM1AKT2MAPTHTTKDM4E
SCHEMBL2961431 0.74 PIM1 (0.36) PIM1AKT2MAPTKDM4EHSD17B10

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.