SCHEMBL664669

SCHEMBL664669

NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.88
AURKB Q96GD4 13/20 0.88
RPS6KB1 P23443 12/20 0.79
PDPK1 O15530 1/20 0.71

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
SCHEMBL665310 0.93 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL665869 0.90 AURKA (0.87) AURKAAURKBRPS6KB1PDPK1
SCHEMBL663887 0.89 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL666566 0.88 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL666690 0.87 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL666194 0.86 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL665692 0.85 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1
SCHEMBL664186 0.85 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL10255546 0.85 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL664869 0.84 AURKA (1.00) AURKAAURKBRPS6KB1PDPK1

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-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
CN-102317269-A Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2012-01-11 CN disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 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 (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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC AURKA 600/4885AURKB 550/4885RPS6KB1 500/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC AURKA 600/4885AURKB 550/4885RPS6KB1 500/4885

“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.