SCHEMBL527176

SCHEMBL527176

CCc1nc(N[C@H](CN2CCC2)c2cccc(F)c2)c2cccc(C(=O)OC)c2n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.61
AKT1 P31749 16/20 0.61
AURKB Q96GD4 13/20 0.61
INCENP Q9NQS7 12/20 0.61
AURKA O14965 2/20 0.45
CYP2C9 P11712 1/20 0.45
AKT2 P31751 1/20 0.45
AKT3 Q9Y243 1/20 0.45

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
SCHEMBL17200080 0.92 RPS6KB1 (0.62) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093513 0.91 RPS6KB1 (0.74) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL527440 0.83 AKT1 (0.44) RPS6KB1AKT1AURKBINCENP
SCHEMBL527439 0.83 AKT1 (0.44) RPS6KB1AKT1AURKBINCENP
SCHEMBL17200061 0.83 AKT1 (0.61) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093506 0.82 AKT1 (0.73) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200075 0.81 AKT1 (0.62) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL17200060 0.81 RPS6KB1 (0.64) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093514 0.81 RPS6KB1 (0.72) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14983863 0.81 RPS6KB1 (0.72) 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.