SCHEMBL664720

SCHEMBL664720

CN(c1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1)c1cc(C#N)ccn1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.68
AURKB Q96GD4 10/20 0.68
RPS6KB1 P23443 17/20 0.60

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
SCHEMBL667546 0.89 AURKA (0.62) AURKAAURKBRPS6KB1
SCHEMBL665481 0.81 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL665671 0.78 RPS6KB1 (0.63) AURKAAURKBRPS6KB1
SCHEMBL666577 0.76 RPS6KB1 (0.67) AURKAAURKBRPS6KB1
SCHEMBL666758 0.76 AURKA (0.82) AURKAAURKBRPS6KB1
SCHEMBL16459603 0.76 AURKA (0.77) AURKAAURKBRPS6KB1
SCHEMBL665382 0.76 RPS6KB1 (1.00) AURKAAURKBRPS6KB1
SCHEMBL663173 0.75 AURKA (1.00) AURKAAURKBRPS6KB1
SCHEMBL665094 0.75 RPS6KB1 (1.00) AURKAAURKBRPS6KB1
SCHEMBL666653 0.75 RPS6KB1 (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
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

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.