SCHEMBL2465175

SCHEMBL2465175

O=[N+]([O-])c1ccc2c(c1)c(-c1cccc(C(F)(F)F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ABCG2 Q9UNQ0 12/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SCN2A Q99250 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2277656 0.84 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNANPSR1MEN1
SCHEMBL13854477 0.84 L3MBTL1 (0.70) L3MBTL1ABCG2ALDH1A1LMNANPSR1
SCHEMBL173456 0.84 L3MBTL1 (0.57) L3MBTL1LMNANPSR1MEN1KMT2A
SCHEMBL3137152 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1LMNANPSR1MEN1
SCHEMBL3152785 0.82 L3MBTL1 (0.51) L3MBTL1LMNANPSR1MEN1KMT2A
SCHEMBL3139841 0.82 L3MBTL1 (0.48) L3MBTL1ABCG2ALDH1A1LMNANPSR1
SCHEMBL4231756 0.82 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNANPSR1MEN1
SCHEMBL2468284 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNANPSR1MEN1
SCHEMBL2467474 0.81 ALDH1A1 (0.47) ABCG2ALDH1A1LMNANPSR1MEN1
SCHEMBL27811934 0.81 L3MBTL1 (0.48) L3MBTL1ABCG2LMNANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 3535/4885ABCG2 1736/4885ALDH1A1 277/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 L3MBTL1 3654/4885ABCG2 1846/4885ALDH1A1 342/4885

“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.