SCHEMBL16213601

SCHEMBL16213601

C=Cc1cc2c(-c3ccnc(C)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 3/20 0.31
MAPT P10636 7/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
HTR6 P50406 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
LMNA P02545 3/20 0.31
GAA P10253 1/20 0.31
POLB P06746 3/20 0.30
GLA P06280 1/20 0.30
RECQL P46063 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
PSMD14 O00487 1/20 0.30
APAF1 O14727 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
SCHEMBL16213259 0.92 L3MBTL1 (0.34) L3MBTL1MAPK1MAPTKMT2AMEN1
SCHEMBL20920127 0.90 L3MBTL1 (0.38) L3MBTL1MAPK1MAPTKMT2AMEN1
SCHEMBL17555398 0.88 MAPT (0.42) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL17555400 0.88 MAPT (0.42) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL17555399 0.88 MAPT (0.42) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL16224969 0.87 MAPK1 (0.33) L3MBTL1MAPK1MAPTKMT2AMEN1
SCHEMBL16213478 0.86 L3MBTL1 (0.38) L3MBTL1MAPK1MAPTKMT2AMEN1
SCHEMBL17567301 0.85 POLB (0.39) L3MBTL1MAPK1MAPTKMT2AMEN1
SCHEMBL16213206 0.84 MAPK1 (0.34) L3MBTL1MAPK1MAPTKMT2AMEN1
SCHEMBL19567956 0.84 MAPK1 (0.35) L3MBTL1MAPK1MAPTKMT2AMEN1

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 14 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
EP-2991654-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-09 EP disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 WO 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 L3MBTL1 3616/4885MAPK1 1/4885MAPT 3528/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 L3MBTL1 3501/4885MAPK1 1/4885MAPT 3700/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 L3MBTL1 3501/4885MAPK1 1/4885MAPT 3700/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 L3MBTL1 3616/4885MAPK1 1/4885MAPT 3528/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 L3MBTL1 4491/4885MAPK1 1/4885MAPT 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.