SCHEMBL969790

SCHEMBL969790

COC(=O)c1nc(Br)c2cccnc2c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAP2K1 Q02750 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.39
PSMD14 O00487 1/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.39
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL966265 0.88 CDK9 (0.42) KDM4EL3MBTL1KMT2AMEN1HPGD
SCHEMBL4067451 0.85 LMNA (0.47) KDM4EL3MBTL1KMT2AMEN1HPGD
SCHEMBL966397 0.85 KDM4E (0.51) KDM4EL3MBTL1MAP2K1KMT2AMEN1
SCHEMBL1657008 0.84 LMNA (0.49) KDM4EL3MBTL1KMT2AMEN1HPGD
SCHEMBL4059013 0.84 KDM4E (0.47) KDM4EL3MBTL1KMT2AHPGDHTT
SCHEMBL967038 0.81 TDP1 (0.43) KDM4EL3MBTL1KMT2AMEN1HPGD
SCHEMBL11933653 0.78 KDM4E (0.44) KDM4EKMT2AMEN1MAPT
SCHEMBL966824 0.78 PLAU (0.48) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL23212200 0.76 KDM4E (0.57) KDM4EL3MBTL1MAP2K1KMT2AMEN1
SCHEMBL3557026 0.74 PTGER4 (0.39) KDM4EKMT2AMEN1MAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675803-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS Elanco Animal Health Ireland Limited (IE) 2013-12-25 EP disclosed
EP-2488521-B1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND (IE) 2013-12-18 EP disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
WO-2012112345-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-08-23 WO disclosed
EP-2488521-A1 MACROCYCLIC INTEGRASE INHIBITORS Elanco Animal Health Ireland Limited (IE) 2012-08-22 EP disclosed
EP-2487176-A1 Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus Elanco Animal Health Ireland Limited (IE) 2012-08-15 EP disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
WO-2011045330-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-04-21 WO disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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 (4 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-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS FIP1L1, PIM1, TYMP KDM4E 1395/4885L3MBTL1 2476/4885MAP2K1 1635/4885
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 KDM4E 235/4885L3MBTL1 478/4885MAP2K1 975/4885
US-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885L3MBTL1 2808/4885MAP2K1 1567/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885L3MBTL1 2808/4885MAP2K1 1567/4885

“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.