SCHEMBL708227

SCHEMBL708227

Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccsc4)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 1.00
AURKB Q96GD4 10/20 1.00
CDK1 P06493 6/20 0.67
MARK3 P27448 6/20 0.67
STK3 Q13188 6/20 0.67
KDR P35968 6/20 0.67
LCK P06239 5/20 0.67
BLK P51451 5/20 0.67
MARK2 Q7KZI7 5/20 0.67
PDPK1 O15530 4/20 0.67
PIM1 P11309 4/20 0.67
IRAK4 Q9NWZ3 4/20 0.67
JAK3 P52333 3/20 0.67
RPS6KA3 P51812 3/20 0.67
FLT3 P36888 3/20 0.67
ROCK1 Q13464 3/20 0.67
LYN P07948 2/20 0.67
GSK3A P49840 2/20 0.67
EGFR P00533 2/20 0.67
GSK3B P49841 2/20 0.67

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
SCHEMBL709714 0.86 AURKB (0.81) AURKAAURKBCDK1MARK3STK3
SCHEMBL708728 0.85 AURKB (0.80) AURKAAURKBCDK1MARK3STK3
SCHEMBL710637 0.85 AURKB (1.00) AURKAAURKBCDK1MARK3STK3
SCHEMBL707285 0.83 AURKB (0.78) AURKAAURKBCDK1MARK3STK3
SCHEMBL708688 0.83 AURKB (0.74) AURKAAURKBCDK1MARK3STK3
SCHEMBL707252 0.83 AURKA (0.83) AURKAAURKBCDK1MARK3STK3
SCHEMBL708255 0.82 AURKB (0.73) AURKAAURKBCDK1MARK3STK3
SCHEMBL711553 0.81 AURKB (0.81) AURKAAURKBCDK1MARK3STK3
SCHEMBL707814 0.81 AURKB (0.72) AURKAAURKBCDK1MARK3STK3
SCHEMBL710516 0.80 AURKB (0.92) AURKAAURKBCDK1MARK3STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US claimed
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP claimed
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO claimed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 US claimed
US-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US disclosed
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP disclosed
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 US 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-20090131425-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 AURKA 4/4885AURKB 2/4885CDK1 7/4885

“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.