SCHEMBL665172

SCHEMBL665172

NC(=O)c1cc(OCc2ccccc2)cc2c(N(N)CCCc3cccc(Cl)c3)ncnc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 14/20 0.55
▸ AURKA O14965 10/20 0.55
▸ AURKB Q96GD4 2/20 0.47
▸ AKT1 P31749 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ MBTPS1 Q14703 1/20 0.40
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38

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
SCHEMBL664479 0.90 RPS6KB1 (0.51) RPS6KB1AURKAAURKB
SCHEMBL665089 0.84 RPS6KB1 (0.53) RPS6KB1AURKAAURKBAKT1
SCHEMBL665173 0.79 RPS6KB1 (0.63) RPS6KB1AURKAAURKB
SCHEMBL665241 0.79 AURKA (0.52) RPS6KB1AURKAAURKBAKT1
SCHEMBL666581 0.73 RPS6KB1 (0.59) RPS6KB1AURKAAURKBSIRT2
SCHEMBL663753 0.73 RPS6KB1 (0.58) RPS6KB1AURKAAURKBAKT1
SCHEMBL667105 0.71 RPS6KB1 (0.82) RPS6KB1AURKAAURKB
SCHEMBL663204 0.71 RPS6KB1 (1.00) RPS6KB1AURKA
SCHEMBL666537 0.67 RPS6KB1 (0.74) RPS6KB1AURKA
SCHEMBL667093 0.67 RPS6KB1 (0.60) RPS6KB1AURKA

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 RPS6KB1 500/4885AURKA 600/4885AURKB 550/4885

“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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