SCHEMBL2277656

SCHEMBL2277656

O=[N+]([O-])c1ccc2c(c1)c(-c1ccnc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CNR2 P34972 6/20 0.40
ACHE P22303 2/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
F2RL3 Q96RI0 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
F2R P25116 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRK1 P41145 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 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
SCHEMBL2468284 0.89 L3MBTL1 (0.49) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL173456 0.87 L3MBTL1 (0.57) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL2276443 0.86 L3MBTL1 (0.49) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL2470004 0.85 L3MBTL1 (0.46) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL2276520 0.84 L3MBTL1 (0.47) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL2465175 0.84 L3MBTL1 (0.54) L3MBTL1MAPTHPGDKMT2AMEN1
SCHEMBL3152785 0.84 L3MBTL1 (0.51) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL3139841 0.84 L3MBTL1 (0.48) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL4231756 0.84 L3MBTL1 (0.48) L3MBTL1CNR2ACHECNR1MAPT
SCHEMBL2279834 0.84 L3MBTL1 (0.47) L3MBTL1CNR2ACHECNR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
CN-102015693-A Compounds as ERK inhibitors SCHERING CORP 2011-04-13 CN disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 L3MBTL1 3535/4885CNR2 3806/4885ACHE 3550/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 L3MBTL1 3654/4885CNR2 3856/4885ACHE 3857/4885

“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.