SCHEMBL1611599

SCHEMBL1611599

Nc1cccc2c1C(=O)OC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TYMS P04818 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADORA2A P29274 2/20 0.39
PTPRC P08575 1/20 0.39
PRF1 P14222 2/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MAPK14 Q16539 2/20 0.36
THRB P10828 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
SCHEMBL31616856 0.79 KDM4E (0.47) MAOAMAOBKDM4ELMNAGAA
SCHEMBL4455687 0.79 KDM4E (0.47) MAOAMAOBKDM4ELMNAGAA
SCHEMBL2646945 0.78 KDM4E (0.46) MAOAMAOBKDM4ELMNAGAA
SCHEMBL32672790 0.75 TDP2 (0.50) MAOAMAOBKDM4ELMNAGAA
SCHEMBL855553 0.75 MAOA (0.47) MAOAMAOBKDM4ELMNAGAA
SCHEMBL7001855 0.75 MAPT (0.53) MAOAMAOBKDM4ELMNAGAA
SCHEMBL855947 0.75 MAOB (0.47) MAOAMAOBKDM4ELMNAGAA
SCHEMBL854978 0.75 MAOA (0.47) MAOAMAOBKDM4ELMNAGAA
SCHEMBL29838115 0.75 MAOA (0.47) MAOAMAOBKDM4ELMNAGAA
SCHEMBL4497128 0.75 MAOA (0.47) MAOAMAOBKDM4ELMNAGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814829-B1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL MYERS SQUIBB CO (US) 2016-12-07 EP disclosed
US-9156850-B2 Enediyne compounds, conjugates thereof, and uses and methods therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-13 US disclosed
US-9156850-B2 Enediyne compounds, conjugates thereof, and uses and methods therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-13 US disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-20140193438-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-10 US disclosed
US-20140193438-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-10 US disclosed
US-8709431-B2 Enediyne compounds, conjugates thereof, and uses and methods therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8709431-B2 Enediyne compounds, conjugates thereof, and uses and methods therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
WO-2013122823-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-22 WO disclosed
US-20130209494-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
WO-1993008185-A1 N-ARYL-N1-AZABICYCLO-UREAS AS 5-HT3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-04-29 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 (7 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP MAOA 2429/4885MAOB 1887/4885KDM4E 1758/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP MAOA 2429/4885MAOB 1887/4885KDM4E 1758/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 MAOA 200/4885MAOB 333/4885KDM4E 4108/4885
US-20130209494-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR ECI1, DHFR, NQO1 MAOA 2936/4885MAOB 1209/4885KDM4E 4230/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP MAOA 2429/4885MAOB 1887/4885KDM4E 1758/4885
US-20140193438-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR ECI1, DHFR, NQO1 MAOA 2936/4885MAOB 1209/4885KDM4E 4230/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP MAOA 2429/4885MAOB 1887/4885KDM4E 1758/4885

“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.