SCHEMBL13854989

SCHEMBL13854989

Cn1nc(C(=O)O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ELANE P08246 5/20 0.53
▸ F2 P00734 2/20 0.53
▸ PLAU P00749 2/20 0.53
▸ CTRB1 P17538 2/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ CNR2 P34972 3/20 0.52
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ F2R P25116 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ F2RL3 Q96RI0 1/20 0.44

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
SCHEMBL2851292 0.89 L3MBTL1 (0.51) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL3694723 0.89 L3MBTL1 (0.51) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL31482827 0.89 L3MBTL1 (0.58) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL13854988 0.86 ELANE (0.67) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL13854991 0.84 L3MBTL1 (0.53) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL961818 0.82 ELANE (0.52) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL11145800 0.82 L3MBTL1 (0.54) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL27730179 0.82 ELANE (0.53) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL13854990 0.81 L3MBTL1 (0.50) L3MBTL1ELANEF2PLAUCTRB1
SCHEMBL14908618 0.81 L3MBTL1 (0.62) L3MBTL1ELANEF2PLAUCTRB1

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 2 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
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — 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 (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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 L3MBTL1 3535/4885ELANE 3367/4885F2 4355/4885

“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.

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