SCHEMBL3142933

SCHEMBL3142933

COCc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 7/20 0.39
ACHE P22303 3/20 0.39
CNR1 P21554 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ELANE P08246 2/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
CTRB1 P17538 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
F2R P25116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CFTR P13569 1/20 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
SCHEMBL4225912 0.88 L3MBTL1 (0.46) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL4226228 0.85 L3MBTL1 (0.44) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL3152975 0.84 CNR1 (0.35) CNR2ACHECNR1MEN1KMT2A
SCHEMBL4226231 0.83 F2RL3 (0.45) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL13854953 0.83 ELANE (0.47) F2RL3L3MBTL1CNR2MEN1KMT2A
SCHEMBL4231756 0.83 L3MBTL1 (0.48) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL3152785 0.83 L3MBTL1 (0.51) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL13854999 0.83 L3MBTL1 (0.58) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL4220072 0.81 L3MBTL1 (0.43) F2RL3L3MBTL1CNR2ACHECNR1
SCHEMBL3139841 0.81 L3MBTL1 (0.48) F2RL3L3MBTL1CNR2ACHECNR1

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 6 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
CN-101815711-A Polycyclic indazole derivatives and their use as erk inhibitors for the treatment of cancer SCHERING CORP 2010-08-25 CN disclosed
EP-2155722-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2010-02-24 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008153858-A1 POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-12-18 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 (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 3535/4885CNR2 3806/4885

“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.