SCHEMBL667178

SCHEMBL667178

NC(=O)c1cccc2c(NC3CCNCC3)ncnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 19/20 1.00
AURKA O14965 15/20 1.00
AURKB Q96GD4 2/20 0.58
PDPK1 O15530 3/20 0.54

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
SCHEMBL665801 0.93 RPS6KB1 (1.00) RPS6KB1AURKAAURKBPDPK1
SCHEMBL14574926 0.89 RPS6KB1 (0.80) RPS6KB1AURKAAURKBPDPK1
SCHEMBL664459 0.86 RPS6KB1 (1.00) RPS6KB1AURKAAURKBPDPK1
SCHEMBL664458 0.86 RPS6KB1 (1.00) RPS6KB1AURKAAURKBPDPK1
SCHEMBL664826 0.84 RPS6KB1 (1.00) RPS6KB1AURKAAURKB
SCHEMBL15196995 0.82 RPS6KB1 (0.74) RPS6KB1AURKAAURKBPDPK1
SCHEMBL15197010 0.80 RPS6KB1 (0.70) RPS6KB1AURKAAURKB
SCHEMBL15197012 0.80 RPS6KB1 (0.70) RPS6KB1AURKAAURKB
SCHEMBL528014 0.80 RPS6KB1 (0.70) RPS6KB1AURKAAURKB
SCHEMBL12076496 0.80 RPS6KB1 (0.66) RPS6KB1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
WO-2010093419-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2010-08-19 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 (2 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC RPS6KB1 500/4885AURKA 600/4885AURKB 550/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC RPS6KB1 500/4885AURKA 600/4885AURKB 550/4885

“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.