SCHEMBL810139

SCHEMBL810139

CC(C)c1ccc2c(Nc3cc(NCCc4ccccc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
AKT2 P31751 1/20 0.50
HTR7 P34969 2/20 0.35
HTT P42858 2/20 0.35
EGFR P00533 1/20 0.33
ERBB2 P04626 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
SCHEMBL5064931 0.86 PIM1 (0.59) PIM1AKT2EGFRERBB2
SCHEMBL810944 0.85 PIM1 (0.64) PIM1AKT2EGFRERBB2
SCHEMBL1455110 0.84 PIM1 (0.49) PIM1AKT2
SCHEMBL811693 0.84 PIM1 (0.50) PIM1AKT2EGFR
SCHEMBL810746 0.83 PIM1 (0.51) PIM1AKT2
SCHEMBL1455578 0.83 PIM1 (0.49) PIM1AKT2EGFR
SCHEMBL1454130 0.82 PIM1 (0.48) PIM1AKT2EGFRERBB2
SCHEMBL811394 0.82 PIM1 (0.46) PIM1AKT2EGFRERBB2
SCHEMBL811410 0.82 PIM1 (0.46) PIM1AKT2
SCHEMBL810715 0.82 PIM1 (0.51) PIM1AKT2EGFR

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 3903/4885HTR7 4545/4885

“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.