SCHEMBL1681534

SCHEMBL1681534

O=[N+]([O-])c1c(F)cc(F)c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP6 P55212 1/20 0.38
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAP2K2 P36507 1/20 0.35
GRK2 P25098 1/20 0.34
RECQL P46063 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1681218 0.85 EGFR (0.44) MAP2K1MEN1KMT2AALDH1A1LMNA
SCHEMBL1983602 0.85 EGFR (0.44) MAP2K1MEN1KMT2ACASP6ALDH1A1
SCHEMBL15826953 0.83 KMT2A (0.40) MAP2K1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL345946 0.83 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL1681083 0.79 MAP2K1 (0.39) MAP2K1MEN1KMT2ACASP6ALDH1A1
SCHEMBL15826954 0.74 KMT2A (0.42) MAP2K1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11929737 0.72 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL391717 0.72 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL1681152 0.71 MAPT (0.38) MAP2K1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1516511 0.71 MAP2K1 (0.64) 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 14 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-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP disclosed
US-8614239-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-12-24 US disclosed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US 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 (3 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 100/4885MEN1 1298/4885KMT2A 954/4885
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 MAP2K1 103/4885MEN1 1749/4885KMT2A 1423/4885
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES NRAS, BRAF, MAP3K20 MAP2K1 205/4885MEN1 461/4885KMT2A 584/4885

“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.