SCHEMBL16460204

SCHEMBL16460204

COc1c(F)cc(C(=O)Nc2cccc(C(C)(CCN)N(C)c3ncnc4c(C(N)=O)cccc34)c2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 17/20 0.49
▸ AURKB Q96GD4 6/20 0.49
▸ RPS6KB1 P23443 14/20 0.47

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
SCHEMBL16460058 0.88 RPS6KB1 (0.59) AURKAAURKBRPS6KB1
SCHEMBL16460449 0.88 AURKA (0.56) AURKAAURKBRPS6KB1
SCHEMBL16460395 0.85 AURKA (0.59) AURKAAURKBRPS6KB1
SCHEMBL16459771 0.85 AURKA (0.68) AURKAAURKBRPS6KB1
SCHEMBL16460035 0.83 AURKA (0.59) AURKAAURKBRPS6KB1
SCHEMBL16459940 0.83 RPS6KB1 (0.56) AURKAAURKBRPS6KB1
SCHEMBL665161 0.81 AURKA (0.59) AURKAAURKBRPS6KB1
SCHEMBL664474 0.80 AURKA (0.69) AURKAAURKBRPS6KB1
SCHEMBL665573 0.80 AURKA (0.48) AURKAAURKBRPS6KB1
SCHEMBL16459802 0.78 AURKA (0.59) 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-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 — — US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 — — 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-20140107156-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.

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