SCHEMBL664351

SCHEMBL664351

Cc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 1.00
RPS6KB1 P23443 18/20 1.00
AURKB Q96GD4 11/20 1.00
PDPK1 O15530 3/20 0.78

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
SCHEMBL667101 0.91 RPS6KB1 (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL665382 0.90 RPS6KB1 (1.00) AURKARPS6KB1AURKB
SCHEMBL664678 0.90 AURKA (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL3716461 0.89 AURKA (0.85) AURKARPS6KB1AURKBPDPK1
SCHEMBL666716 0.89 AURKA (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL666808 0.89 AURKA (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL666208 0.89 AURKA (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL666710 0.88 AURKA (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL666190 0.88 AURKA (1.00) AURKARPS6KB1AURKBPDPK1
SCHEMBL665653 0.88 AURKA (1.00) AURKARPS6KB1AURKBPDPK1

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 8 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
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-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

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 AURKA 600/4885RPS6KB1 500/4885AURKB 550/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC AURKA 600/4885RPS6KB1 500/4885AURKB 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.