SCHEMBL1680940

SCHEMBL1680940

COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(I)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.45
FLT1 P17948 1/20 0.40
MAP2K2 P36507 7/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1495222 0.83 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL1555082 0.80 ALDH1A1 (0.44) MAP2K1MEN1KMT2AMAPTALDH1A1
SCHEMBL11909578 0.79 MAP2K1 (0.50) MAP2K1FLT1MAP2K2
SCHEMBL1681646 0.78 MAP2K1 (0.49) MAP2K1FLT1MAP2K2ALDH1A1MAPK1
SCHEMBL27162701 0.77 MAPT (0.39) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL346016 0.76 MAP2K1 (0.49) MAP2K1FLT1MAP2K2
SCHEMBL971178 0.74 GRIN2D (0.44) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL13063527 0.74 MAP2K1 (0.44) MAP2K1FLT1MAP2K2
SCHEMBL345946 0.74 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1
SCHEMBL11929737 0.73 MAP2K1 (0.45) MAP2K1MAP2K2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
EP-2488507-B1 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2014-12-17 EP disclosed
EP-2488507-B1 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2014-12-17 EP disclosed
EP-2488507-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES Allostem Therapeutics LLC (US) 2012-08-22 EP disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
WO-2011047055-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2011-04-21 WO disclosed
WO-2011047055-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2011-04-21 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 (2 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-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS MYLK2, MAPK1, MAP3K1 MAP2K1 100/4885FLT1 1382/4885MAP2K2 80/4885
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES NRAS, BRAF, MAP3K20 MAP2K1 205/4885FLT1 1345/4885MAP2K2 147/4885

“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.