SCHEMBL17567307

SCHEMBL17567307

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPK1 P28482 4/20 0.32
MAPK3 P27361 1/20 0.32
MAP2K1 Q02750 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17567308 0.90 L3MBTL1 (0.41) L3MBTL1PDE4DPDE10AMAPTALDH1A1
SCHEMBL17567309 0.85 L3MBTL1 (0.39) L3MBTL1PDE4DPDE10AMAPTALDH1A1
SCHEMBL17567302 0.84 L3MBTL1 (0.46) L3MBTL1PDE4DPDE10AMAPTALDH1A1
SCHEMBL16213601 0.83 L3MBTL1 (0.34) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL17567310 0.81 L3MBTL1 (0.39) L3MBTL1PDE4DPDE10AMAPTALDH1A1
SCHEMBL19564593 0.81 L3MBTL1 (0.41) L3MBTL1PDE4DPDE10AMAPTALDH1A1
SCHEMBL17567304 0.75 LMNA (0.37) L3MBTL1PDE4DPDE10AMAPTALDH1A1
SCHEMBL16213259 0.73 L3MBTL1 (0.34) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL17567311 0.72 MAPK1 (0.38) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL30896471 0.72 ADORA2A (0.41) L3MBTL1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US 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-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 L3MBTL1 3501/4885PDE4D 2600/4885PDE10A 2102/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 L3MBTL1 4491/4885PDE4D 1571/4885PDE10A 1168/4885

“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.