SCHEMBL4226231

SCHEMBL4226231

COCCOc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
S1PR4 O95977 1/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 2/20 0.38
ACHE P22303 2/20 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 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
F2R P25116 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
TLR7 Q9NYK1 2/20 0.35

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
SCHEMBL4226228 0.93 L3MBTL1 (0.44) F2RL3L3MBTL1S1PR4CNR2CNR1
SCHEMBL3152363 0.85 TLR7 (0.41) CNR2CNR1ACHETLR7TLR9
SCHEMBL4220072 0.84 L3MBTL1 (0.43) F2RL3L3MBTL1CNR2CNR1ACHE
SCHEMBL13855002 0.84 L3MBTL1 (0.55) F2RL3L3MBTL1S1PR4CNR2CNR1
SCHEMBL3142933 0.83 F2RL3 (0.46) F2RL3L3MBTL1CNR2CNR1ACHE
SCHEMBL3139841 0.81 L3MBTL1 (0.48) F2RL3L3MBTL1CNR2CNR1ACHE
SCHEMBL4225912 0.81 L3MBTL1 (0.46) F2RL3L3MBTL1CNR2CNR1ACHE
SCHEMBL13854953 0.79 ELANE (0.47) F2RL3L3MBTL1CNR2ELANEF2
SCHEMBL3152785 0.79 L3MBTL1 (0.51) F2RL3L3MBTL1CNR2CNR1ACHE
SCHEMBL4231756 0.79 L3MBTL1 (0.48) F2RL3L3MBTL1CNR2CNR1ACHE

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-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-2155722-B1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME (US) 2013-08-14 EP 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 F2RL3 3786/4885L3MBTL1 3535/4885S1PR4 1196/4885

“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.