SCHEMBL666027

SCHEMBL666027

CC(Nc1ncnc2c(C(=O)O)cccc12)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.86
AURKB Q96GD4 6/20 0.86
RPS6KB1 P23443 17/20 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
SCHEMBL666059 0.92 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL27830110 0.86 AURKA (0.74) AURKAAURKBRPS6KB1
SCHEMBL666700 0.82 RPS6KB1 (0.86) AURKAAURKBRPS6KB1
SCHEMBL664171 0.81 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL665367 0.78 AURKA (0.85) AURKAAURKBRPS6KB1
SCHEMBL668843 0.78 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL665681 0.78 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL669051 0.77 RPS6KB1 (1.00) AURKAAURKBRPS6KB1
SCHEMBL669052 0.77 RPS6KB1 (1.00) AURKAAURKBRPS6KB1
SCHEMBL666018 0.77 AURKA (1.00) AURKAAURKBRPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 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-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.