SCHEMBL3137152

SCHEMBL3137152

Nc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 9/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CNR2 P34972 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BTK Q06187 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL173456 0.88 L3MBTL1 (0.57) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL3152785 0.86 L3MBTL1 (0.51) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL13854970 0.83 L3MBTL1 (0.53) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL2465175 0.83 L3MBTL1 (0.54) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3139841 0.82 L3MBTL1 (0.48) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL4231756 0.82 L3MBTL1 (0.48) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL27811934 0.82 L3MBTL1 (0.48) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL3138516 0.82 L3MBTL1 (0.48) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL2277656 0.82 L3MBTL1 (0.50) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3257854 0.82 L3MBTL1 (0.50) L3MBTL1MAPTKMT2AMEN1ALDH1A1

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 3535/4885MAPT 3731/4885KMT2A 1891/4885

“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.