SCHEMBL526765

SCHEMBL526765

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 1.00
AKT1 P31749 7/20 1.00
AURKB Q96GD4 6/20 1.00
INCENP Q9NQS7 6/20 1.00
AURKA O14965 11/20 0.73
CYP2C9 P11712 1/20 0.73

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
SCHEMBL10093520 1.00 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL527815 0.91 RPS6KB1 (0.83) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974528 0.89 RPS6KB1 (0.81) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL527250 0.89 RPS6KB1 (0.80) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093525 0.89 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14974986 0.86 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL10093513 0.85 RPS6KB1 (0.74) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL14975353 0.85 RPS6KB1 (0.74) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL663752 0.85 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAURKA
SCHEMBL665990 0.85 RPS6KB1 (1.00) 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 12 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 claimed
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
CN-103003250-A Bicyclic azaheterocyclic carboxamides as inhibitors of the kinase p70s6k MERCK PATENT GMBH 2013-03-27 CN claimed
WO-2012013282-A1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2012-02-02 WO claimed
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
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
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US disclosed
CN-103003250-A Bicyclic azaheterocyclic carboxamides as inhibitors of the kinase p70s6k MERCK PATENT GMBH 2013-03-27 CN 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.