SCHEMBL527214

SCHEMBL527214

Cc1nc(CC(CN2CCC2)c2ccc(Cl)cc2)c2cccc(C(N)=O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.46
RPS6KB1 P23443 12/20 0.46
AURKB Q96GD4 11/20 0.46
INCENP Q9NQS7 10/20 0.46
CD38 P28907 3/20 0.42
AURKA O14965 1/20 0.41
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39

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
SCHEMBL527213 1.00 AKT1 (0.46) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL14974514 0.92 RPS6KB1 (0.52) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL14974516 0.92 RPS6KB1 (0.52) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL531308 0.91 RPS6KB1 (0.55) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL531309 0.91 RPS6KB1 (0.55) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL14974378 0.91 AKT1 (0.54) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL14974377 0.91 AKT1 (0.54) AKT1RPS6KB1AURKBINCENPAURKA
SCHEMBL527005 0.89 AKT1 (0.45) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL527004 0.89 AKT1 (0.45) AKT1RPS6KB1AURKBINCENPCD38
SCHEMBL526995 0.86 RPS6KB1 (0.47) AKT1RPS6KB1AURKBINCENPCD38

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

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