Sugi Predict

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SCHEMBL710324

SCHEMBL710324

Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cc(F)ccc4F)c3)c12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 20/20 0.83
▸ AURKA O14965 18/20 0.83
▸ CDK8 P49336 2/20 0.64
▸ IKBKB O14920 1/20 0.64
▸ PDPK1 O15530 1/20 0.64
▸ EGFR P00533 1/20 0.64
▸ NTRK1 P04629 1/20 0.64
▸ LCK P06239 1/20 0.64
▸ FYN P06241 1/20 0.64
▸ CDK1 P06493 1/20 0.64
▸ LYN P07948 1/20 0.64
▸ PIM1 P11309 1/20 0.64
▸ MARK3 P27448 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ FLT3 P36888 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ GSK3A P49840 1/20 0.64
▸ GSK3B P49841 1/20 0.64
▸ BLK P51451 1/20 0.64

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
SCHEMBL708731 0.93 AURKB (0.83) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL709080 0.91 AURKB (1.00) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL708721 0.90 AURKB (0.88) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL707163 0.89 AURKB (0.84) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL711004 0.89 AURKB (0.80) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL708691 0.86 AURKB (0.86) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL708684 0.85 AURKB (1.00) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL710759 0.85 AURKB (1.00) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL711347 0.85 AURKB (0.88) AURKBAURKACDK8IKBKBPDPK1
SCHEMBL707164 0.83 AURKB (1.00) AURKBAURKACDK8IKBKBPDPK1

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 10 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
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
EP-2150553-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-02-10 — — 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
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (IL) 2009-01-22 — — US disclosed
WO-2008141145-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 — — WO disclosed
WO-2008141140-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 — — 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-20090131425-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 AURKB 2/4885AURKA 4/4885CDK8 42/4885
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 AURKB 2/4885AURKA 4/4885CDK8 42/4885

“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.