SCHEMBL16224969

SCHEMBL16224969

C=CCc1cc2c(-c3ccnc(C)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16213206 0.92 MAPK1 (0.34) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL19567956 0.89 MAPK1 (0.35) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL20920127 0.87 L3MBTL1 (0.38) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL16213601 0.87 L3MBTL1 (0.34) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL16213443 0.85 CTSB (0.43) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL16213259 0.84 L3MBTL1 (0.34) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL16213478 0.84 L3MBTL1 (0.38) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL17567309 0.84 L3MBTL1 (0.39) MAPK1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL16213543 0.83 ADORA2A (0.35) MAPK1MAPTALDH1A1LMNAPOLB
SCHEMBL16213082 0.81 ALDH1A1 (0.39) MAPK1MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
EP-2991654-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-11-21 EP disclosed
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-08 US disclosed
US-10065967-B2 Compounds that are ERK inhibitors Merck, Sharp & Dohme Corp. (US) 2018-09-04 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 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 (5 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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 MAPK1 1/4885L3MBTL1 3616/4885MAPT 3528/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885L3MBTL1 3501/4885MAPT 3700/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885L3MBTL1 3501/4885MAPT 3700/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 MAPK1 1/4885L3MBTL1 3616/4885MAPT 3528/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 MAPK1 1/4885L3MBTL1 4491/4885MAPT 3652/4885

“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.