SCHEMBL1454005

SCHEMBL1454005

CC(C)c1ccc2c(Nc3cc(C(=O)Nc4ccc(Cl)cn4)ccc3Sc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)ncnc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
AKT2 P31751 1/20 0.35
ABL1 P00519 1/20 0.34
KIT P10721 1/20 0.34
KCNH2 Q12809 1/20 0.34
F10 P00742 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 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
SCHEMBL1455238 0.93 PIM1 (0.37) PIM1AKT2ABL1KITSMN1; SMN2
SCHEMBL1455017 0.88 PIM1 (0.35) PIM1AKT2ABL1KIT
SCHEMBL1455165 0.87 PIM1 (0.35) PIM1AKT2ABL1KIT
SCHEMBL1454931 0.87 PIM1 (0.37) PIM1AKT2ABL1KIT
SCHEMBL1455376 0.87 ABL1 (0.38) PIM1AKT2ABL1KIT
SCHEMBL1454621 0.87 PIM1 (0.38) PIM1AKT2ABL1KIT
SCHEMBL1454064 0.86 ABL1 (0.37) PIM1AKT2ABL1KIT
SCHEMBL1716644 0.85 PIM1 (0.36) PIM1AKT2ABL1KIT
SCHEMBL1454647 0.85 ABL1 (0.35) PIM1AKT2ABL1KIT
SCHEMBL1454657 0.84 PIM1 (0.39) PIM1AKT2ABL1KIT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885ABL1 92/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885ABL1 92/4885

“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.