SCHEMBL527439

SCHEMBL527439

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.44
RPS6KB1 P23443 12/20 0.44
AURKB Q96GD4 9/20 0.44
INCENP Q9NQS7 9/20 0.44
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL527440 1.00 AKT1 (0.44) AKT1RPS6KB1AURKBINCENPKDM4E
SCHEMBL527634 0.90 RPS6KB1 (0.53) AKT1RPS6KB1AURKBINCENP
SCHEMBL527633 0.90 RPS6KB1 (0.53) AKT1RPS6KB1AURKBINCENP
SCHEMBL527176 0.83 RPS6KB1 (0.61) AKT1RPS6KB1AURKBINCENP
SCHEMBL14975120 0.81 AKT1 (0.52) AKT1RPS6KB1AURKBINCENP
SCHEMBL14975121 0.81 AKT1 (0.52) AKT1RPS6KB1AURKBINCENP
SCHEMBL14974532 0.80 RPS6KB1 (0.50) AKT1RPS6KB1AURKBINCENP
SCHEMBL14974536 0.80 RPS6KB1 (0.50) AKT1RPS6KB1AURKBINCENP
SCHEMBL527173 0.80 RPS6KB1 (0.53) AKT1RPS6KB1AURKBINCENP
SCHEMBL527172 0.80 RPS6KB1 (0.53) AKT1RPS6KB1AURKBINCENP

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 4 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 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 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.