SCHEMBL810548

SCHEMBL810548

CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
AKT2 P31751 1/20 0.49
HTT P42858 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL810890 0.93 PIM1 (0.49) PIM1AKT2HTTKDM4EMAPT
SCHEMBL811175 0.90 PIM1 (0.56) PIM1AKT2HTTKDM4EHSD17B10
SCHEMBL810263 0.89 PIM1 (0.47) PIM1AKT2HTTKDM4EHSD17B10
SCHEMBL810954 0.87 PIM1 (0.58) PIM1AKT2HTTKDM4EMAPT
SCHEMBL810692 0.86 PIM1 (0.40) PIM1AKT2HTTKDM4EMAPT
SCHEMBL810616 0.86 PIM1 (0.44) PIM1AKT2KDM4EMAPTHSD17B10
SCHEMBL2961431 0.86 PIM1 (0.36) PIM1AKT2KDM4EMAPTHSD17B10
SCHEMBL810712 0.85 PIM1 (0.48) PIM1AKT2HTTKDM4EMAPT
SCHEMBL810966 0.84 PIM1 (0.46) PIM1AKT2HTTKDM4EMAPT
SCHEMBL810538 0.82 PIM1 (0.46) PIM1AKT2HTTKDM4EMAPT

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 3903/4885HTT 472/4885

“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.