SCHEMBL527876

SCHEMBL527876

COC(=O)c1cccc2c(N[C@H](CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(F)cc3)nc(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 16/20 0.43
AURKA O14965 12/20 0.43
AKT1 P31749 4/20 0.42
AURKB Q96GD4 4/20 0.42
INCENP Q9NQS7 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL527275 0.92 RPS6KB1 (0.53) RPS6KB1AURKAAKT1AURKBINCENP
SCHEMBL527124 0.76 RPS6KB1 (0.40) RPS6KB1AURKAAKT1AURKBINCENP
SCHEMBL15054872 0.75 RPS6KB1 (0.40) RPS6KB1AURKA
SCHEMBL15054871 0.75 RPS6KB1 (0.40) RPS6KB1AURKA
SCHEMBL666154 0.73 RPS6KB1 (0.54) RPS6KB1AURKAAURKB
SCHEMBL14974538 0.70 RPS6KB1 (0.47) RPS6KB1AURKAAKT1AURKBINCENP
SCHEMBL28137529 0.68 RPS6KB1 (0.42) RPS6KB1AURKAAKT1AURKBINCENP
SCHEMBL14974401 0.67 RPS6KB1 (0.82) RPS6KB1AURKAAKT1AURKBINCENP
SCHEMBL12467154 0.67 KMT2A (0.48)
Trifluoroacetic Acid SCHEMBL14974697 0.67 POLB (0.34) RPS6KB1AURKAAKT1AURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
US-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
EP-2598492-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K Merck Patent GmbH (DE) 2013-06-05 EP disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 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 (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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 RPS6KB1 731/4885AURKA 523/4885AKT1 2155/4885

“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.