SCHEMBL666532

SCHEMBL666532

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SERPINH1 P50454 1/20 0.43
NR4A2 P43354 2/20 0.41
CSNK2A1 P68400 1/20 0.40
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ATR Q13535 1/20 0.37
PLA2G2A P14555 2/20 0.37
HPGD P15428 2/20 0.37
PSMD14 O00487 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL1462290 0.87 CSNK2A1 (0.39) TP53NR4A2CSNK2A1ABL1ALDH1A1
SCHEMBL528759 0.85 KDM4E (0.40) TP53NR4A2CSNK2A1ABL1ALDH1A1
SCHEMBL666811 0.85 CSNK2A1 (0.38) TP53SERPINH1NR4A2CSNK2A1ABL1
SCHEMBL667220 0.85 RPS6KB1 (0.47) NR4A2ALDH1A1KDM4EPLA2G2AHPGD
SCHEMBL31721702 0.85 CSNK2A1 (0.38) TP53SERPINH1NR4A2CSNK2A1ABL1
SCHEMBL31507258 0.79 KDM4E (0.48) TP53SERPINH1CSNK2A1ABL1ALDH1A1
SCHEMBL30609399 0.79 KDM4E (0.48) TP53SERPINH1CSNK2A1ABL1ALDH1A1
SCHEMBL527746 0.79 PSMD14 (0.46) NR4A2ALDH1A1KDM4EKMT2ASLC6A4
SCHEMBL31721750 0.79 CYP1A2 (0.44) ALDH1A1KDM4ESLC6A4SLC6A3HPGD
SCHEMBL666921 0.76 AURKA (0.51) ALDH1A1KDM4EMEN1KMT2APLA2G2A

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 TP53 123/4885SERPINH1 4059/4885NR4A2 388/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC TP53 123/4885SERPINH1 4059/4885NR4A2 388/4885

“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.