SCHEMBL1681218

SCHEMBL1681218

COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(Br)cc2F)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
KDR P35968 2/20 0.44
RET P07949 1/20 0.44
KIF5B P33176 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
MAP2K1 Q02750 11/20 0.41
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 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
SCHEMBL1983602 0.91 EGFR (0.44) EGFRKDRRETKIF5BABCB1
SCHEMBL1681646 0.86 MAP2K1 (0.49) MAP2K1MAPK1ALDH1A1
SCHEMBL1681534 0.85 MAP2K1 (0.42) MAP2K1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL11908624 0.79 KDR (0.48) EGFRKDRRETKIF5BMAP2K1
SCHEMBL346016 0.76 MAP2K1 (0.49) MAP2K1
SCHEMBL1681083 0.76 MAP2K1 (0.39) EGFRKDRMAP2K1MAPK1ALDH1A1
SCHEMBL1979694 0.74 KDR (0.48) EGFRKDRRETKIF5BMAP2K1
SCHEMBL15826953 0.72 KMT2A (0.40) MAP2K1MAPK1ALDH1A1MAPTTDP1
SCHEMBL1675629 0.72 MAPT (0.43) ABCB1ABCC1MAPK1ALDH1A1GAA
SCHEMBL31590755 0.71 PKM (0.45) ALDH1A1MAPTTDP1L3MBTL1MEN1

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 EGFR 2083/4885KDR 1297/4885RET 415/4885
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES NRAS, BRAF, MAP3K20 EGFR 178/4885KDR 724/4885RET 73/4885

“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.