SCHEMBL527124

SCHEMBL527124

COC(=O)c1cccc2c(N[C@H](CN(C)S(=O)(=O)c3ccc(N)cc3)c3ccc(OC(F)(F)F)c(Cl)c3)nc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 15/20 0.40
AKT1 P31749 7/20 0.40
AURKB Q96GD4 3/20 0.40
INCENP Q9NQS7 1/20 0.40
AURKA O14965 11/20 0.39
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL14974538 0.94 RPS6KB1 (0.47) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974383 0.81 RPS6KB1 (0.59) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974384 0.81 RPS6KB1 (0.59) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093516 0.76 RPS6KB1 (0.68) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200096 0.76 RPS6KB1 (0.68) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL527876 0.76 RPS6KB1 (0.43) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL27896112 0.74 RPS6KB1 (0.49) RPS6KB1AKT1AURKBINCENPAURKA
Trifluoroacetic Acid SCHEMBL14974697 0.72 POLB (0.34) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL27913600 0.70 AKT1 (0.40) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL28946954 0.70 AKT1 (0.40) RPS6KB1AKT1AURKBINCENPAURKA

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 731/4885AKT1 2155/4885AURKB 460/4885

“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.