SCHEMBL2279834

SCHEMBL2279834

CC(C)Oc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)ccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 9/20 0.39
ACHE P22303 4/20 0.38
CNR1 P21554 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ELANE P08246 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
CTRB1 P17538 1/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F2RL3 Q96RI0 2/20 0.35
LMNA P02545 2/20 0.34
F2R P25116 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2276443 0.90 L3MBTL1 (0.49) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL2276520 0.88 L3MBTL1 (0.47) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL18113578 0.87 L3MBTL1 (0.47) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL13854970 0.85 L3MBTL1 (0.53) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL2274062 0.84 KIT (0.34) CNR2ACHECNR1
SCHEMBL2277656 0.84 L3MBTL1 (0.50) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL2468284 0.83 L3MBTL1 (0.49) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL12374208 0.83 L3MBTL1 (0.60) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL173456 0.81 L3MBTL1 (0.57) L3MBTL1CNR2ACHECNR1MEN1
SCHEMBL17146107 0.81 MAPK1 (0.33) MAPTLMNA

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 5 patents. 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
CN-102015693-B Compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-29 CN disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
CN-102015693-A Compounds as ERK inhibitors SCHERING CORP 2011-04-13 CN 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 (1 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 L3MBTL1 3012/4885CNR2 3669/4885ACHE 4038/4885

“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.