SCHEMBL8514366

SCHEMBL8514366

NC(=O)c1cccc2c(N[C@H](CN3CC(F)C3)c3cccc(Cl)c3)ncnc12

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 18/20 0.79
AURKB Q96GD4 10/20 0.79
AKT1 P31749 10/20 0.79
INCENP Q9NQS7 9/20 0.79
AURKA O14965 8/20 0.72

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
SCHEMBL18537563 1.00 RPS6KB1 (0.79) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL17865872 0.92 RPS6KB1 (0.67) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL8588385 0.88 RPS6KB1 (1.00) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL8588379 0.88 RPS6KB1 (1.00) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL17865810 0.88 RPS6KB1 (0.61) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL8586856 0.87 RPS6KB1 (0.82) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL8515230 0.87 RPS6KB1 (0.82) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL8512442 0.86 AKT1 (0.82) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL665487 0.84 AURKA (1.00) RPS6KB1AURKBAKT1INCENPAURKA
SCHEMBL18537621 0.82 RPS6KB1 (0.81) RPS6KB1AURKBAKT1INCENPAURKA

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 17 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
CN-103228649-A Quinazoline carboxamide azetidines MERCK PATENT GMBH 2013-07-31 CN 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
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US 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
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 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-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 RPS6KB1 1965/4885AURKB 1556/4885AKT1 3082/4885

“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.