SCHEMBL667220

SCHEMBL667220

COC(=O)c1cc(OC)cc2c(Cl)ncnc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.47
AURKA O14965 12/20 0.47
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NR4A2 P43354 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL666532 0.85 TP53 (0.46) KDM4EALDH1A1HPGDNR4A2PLA2G2A
SCHEMBL1462290 0.84 CSNK2A1 (0.39) RPS6KB1AURKAKDM4EALDH1A1HPGD
SCHEMBL31721702 0.83 CSNK2A1 (0.38) RPS6KB1AURKAKDM4EALDH1A1NR4A2
SCHEMBL528759 0.83 KDM4E (0.40) RPS6KB1AURKAKDM4EALDH1A1NR4A2
SCHEMBL666811 0.83 CSNK2A1 (0.38) RPS6KB1AURKAKDM4EALDH1A1NR4A2
SCHEMBL666921 0.81 AURKA (0.51) RPS6KB1AURKAKDM4EALDH1A1LMNA
SCHEMBL14671423 0.77 POLB (0.50) AURKAKDM4EPOLBALDH1A1LMNA
SCHEMBL527746 0.77 PSMD14 (0.46) RPS6KB1AURKAKDM4EALDH1A1LMNA
SCHEMBL31721750 0.76 CYP1A2 (0.44) KDM4EALDH1A1LMNAHPGDCYP1A2
SCHEMBL31728793 0.75 KDM4E (0.49) RPS6KB1AURKAKDM4EPOLBALDH1A1

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 7 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
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-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
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP 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 600/4885KDM4E 272/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC RPS6KB1 500/4885AURKA 600/4885KDM4E 272/4885

“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.