SCHEMBL667108

SCHEMBL667108

COC(=O)c1cccc2c(O)ncnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
PSMD14 O00487 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAP2K1 Q02750 1/20 0.43
AURKA O14965 7/20 0.43
RPS6KB1 P23443 7/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CFTR P13569 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL1462136 0.84 TSHR (0.51) KDM4ETSHRKMT2AALDH1A1HSD17B10
SCHEMBL527746 0.83 PSMD14 (0.46) KDM4EPSMD14LMNATSHRMAP2K1
SCHEMBL667822 0.80 KDM4E (0.47) KDM4EPSMD14LMNAAURKARPS6KB1
SCHEMBL23497087 0.80 RPS6KB1 (0.40) AURKARPS6KB1
SCHEMBL30011123 0.80 RPS6KB1 (0.40) AURKARPS6KB1
SCHEMBL17084052 0.79 RPS6KB1 (0.56) AURKARPS6KB1
SCHEMBL11431252 0.78 KDM4E (0.60) KDM4EPSMD14LMNATSHRMAP2K1
SCHEMBL5756616 0.78 TSHR (0.46) KDM4EPSMD14LMNATSHRMAP2K1
SCHEMBL15758126 0.78 KDM4E (0.39) KDM4EPSMD14LMNATSHRMAP2K1
SCHEMBL69886 0.78 PSMD14 (0.73) KDM4EPSMD14LMNATSHRMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440968-B2 Substituted pyrido[3,2-d]pyrimidines for treating cancer MERCK PATENT GMBH (DE) 2016-09-13 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
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-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
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 KDM4E 272/4885PSMD14 2683/4885LMNA 3629/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC KDM4E 272/4885PSMD14 2683/4885LMNA 3629/4885

“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.