SCHEMBL3138516

SCHEMBL3138516

O=[N+]([O-])c1ccc2c(c1)c(-c1ccc(NCCO)cc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 5/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
F2R P25116 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
CNR2 P34972 2/20 0.37
ACHE P22303 2/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37

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
SCHEMBL3148284 0.90 MAPT (0.45) L3MBTL1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL3152058 0.83 ALDH1A1 (0.33) L3MBTL1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL3137152 0.82 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL4225912 0.81 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL173456 0.81 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL4220072 0.80 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL3139841 0.80 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL4231756 0.80 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2HPGDMAPTPOLB
SCHEMBL13854970 0.79 L3MBTL1 (0.53) L3MBTL1HPGDMAPTKMT2AMEN1
SCHEMBL2465175 0.78 L3MBTL1 (0.54) L3MBTL1HPGDMAPTALDH1A1LMNA

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 12 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-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
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
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
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US 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
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 L3MBTL1 3535/4885SMN1; SMN2 3973/4885HPGD 954/4885

“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.