SCHEMBL8514581

SCHEMBL8514581

C[C@H]1CCN1CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.78
RPS6KB1 P23443 16/20 0.78
AURKB Q96GD4 12/20 0.78
INCENP Q9NQS7 11/20 0.78
AKT2 P31751 1/20 0.56
AKT3 Q9Y243 1/20 0.56
AURKA O14965 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL8514586 1.00 AKT1 (0.78) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL8514576 1.00 AKT1 (0.78) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL17865816 0.93 AKT1 (0.67) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL17865817 0.93 AKT1 (0.67) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL17865815 0.93 AKT1 (0.67) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL17865821 0.90 AKT1 (0.62) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL8587134 0.88 AKT1 (0.81) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL8512395 0.88 AKT1 (0.81) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL18537644 0.87 RPS6KB1 (1.00) AKT1RPS6KB1AURKBINCENPAKT2
SCHEMBL8515026 0.87 RPS6KB1 (1.00) AKT1RPS6KB1AURKBINCENPAKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP claimed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP claimed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US claimed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP claimed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US claimed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 WO claimed
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 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-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 AKT1 3082/4885RPS6KB1 1965/4885AURKB 1556/4885

“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.