SCHEMBL8515230

SCHEMBL8515230

NC(=O)c1cccc2c(N[C@H](CN3CC(F)C3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.82
AKT1 P31749 14/20 0.82
AURKB Q96GD4 11/20 0.82
INCENP Q9NQS7 10/20 0.82
AKT2 P31751 1/20 0.71
AKT3 Q9Y243 1/20 0.71
AURKA O14965 5/20 0.64

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
SCHEMBL8586856 1.00 RPS6KB1 (0.82) RPS6KB1AKT1AURKBINCENPAKT2
SCHEMBL17865859 0.93 AKT1 (0.82) RPS6KB1AKT1AURKBINCENPAKT2
SCHEMBL8512442 0.91 AKT1 (0.82) RPS6KB1AKT1AURKBINCENPAKT2
Rupitasertib SCHEMBL18537702 0.90 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAKT2
Rupitasertib SCHEMBL30274685 0.90 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAKT2
Rupitasertib SCHEMBL15262358 0.90 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAKT2
Rupitasertib SCHEMBL29603841 0.90 RPS6KB1 (1.00) RPS6KB1AKT1AURKBINCENPAKT2
SCHEMBL17865834 0.89 AKT1 (0.67) RPS6KB1AKT1AURKBINCENPAKT2
SCHEMBL17076905 0.88 AKT1 (1.00) RPS6KB1AKT1AURKBINCENP
SCHEMBL20178065 0.88 AKT1 (1.00) RPS6KB1AKT1AURKBINCENP

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 20 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
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP 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
CN-103228649-A Quinazoline carboxamide azetidines MERCK PATENT GMBH 2013-07-31 CN disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 WO 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 1965/4885AKT1 3082/4885AURKB 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.