SCHEMBL666271

SCHEMBL666271

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncnc3c(C(N)=O)cc(-c4ccccc4)cc23)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 11/20 0.61
RPS6KB1 P23443 11/20 0.61
USP30 Q70CQ3 2/20 0.52
BTK Q06187 1/20 0.52
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
PIK3CD O00329 2/20 0.51
PARP1 P09874 1/20 0.48
PIK3CA P42336 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
CHEK1 O14757 1/20 0.46

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
SCHEMBL3705480 0.88 RPS6KB1 (0.68) PDPK1RPS6KB1AURKAAURKBJAK1
SCHEMBL28794180 0.88 RPS6KB1 (0.68) PDPK1RPS6KB1AURKAAURKBJAK1
SCHEMBL664715 0.87 PIK3CD (0.47) PDPK1RPS6KB1BTKAURKAAURKB
SCHEMBL31721617 0.84 RPS6KB1 (0.52) PDPK1RPS6KB1BTKAURKAAURKB
SCHEMBL30609400 0.84 PIK3CD (0.47) PDPK1RPS6KB1BTKAURKAAURKB
SCHEMBL31721666 0.81 PDPK1 (0.46) PDPK1RPS6KB1BTKAURKAAURKB
SCHEMBL31721721 0.81 PDPK1 (0.46) PDPK1RPS6KB1BTKAURKAAURKB
SCHEMBL31507168 0.80 PIK3CD (0.47) PDPK1RPS6KB1USP30BTKPIK3CD
SCHEMBL30609319 0.80 PIK3CD (0.47) PDPK1RPS6KB1USP30BTKPIK3CD
SCHEMBL31507150 0.80 PARP1 (0.49) USP30BTKPIK3CDPARP1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 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-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC PDPK1 2787/4885RPS6KB1 500/4885USP30 1370/4885

“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.