SCHEMBL392817

SCHEMBL392817

CCn1c(Nc2ccc(Br)cc2F)c(C(=O)NOCCO)ccc1=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.65
MAP2K2 P36507 4/20 0.59
ABCB11 O95342 1/20 0.54
NQO2 P16083 1/20 0.54
MAP2K5 Q13163 1/20 0.51
EIF2AK1 Q9BQI3 1/20 0.51
KCNH2 Q12809 1/20 0.49

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
SCHEMBL13070773 0.89 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5EIF2AK1KCNH2
SCHEMBL388837 0.88 MAP2K1 (0.69) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL1021500 0.85 MAP2K1 (0.53) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL388540 0.83 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL3455931 0.82 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL392066 0.80 MAP2K1 (0.67) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL388723 0.80 MAP2K1 (0.64) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL391555 0.80 MAP2K1 (0.66) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL393158 0.79 MAP2K1 (0.79) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL12954592 0.79 MAP2K1 (0.65) MAP2K1MAP2K2ABCB11NQO2MAP2K5

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682138-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2011-01-12 EP claimed
WO-2007137103-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-11-29 WO claimed
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed
US-8431574-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-04-30 US disclosed
US-8431574-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-04-30 US disclosed
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-01-17 US disclosed
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2012-10-18 US disclosed
US-8268852-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-8268852-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-8211921-B2 Heterocyclic inhibitors of MEK and methods of use ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-8211921-B2 Heterocyclic inhibitors of MEK and methods of use ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090143579-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2009-05-21 US disclosed
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2009-05-21 US disclosed
US-7517994-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-14 US disclosed
US-7517994-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-14 US disclosed
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US disclosed
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US 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 (6 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-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 73/4885MAP2K2 63/4885ABCB11 2439/4885
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE NRAS, BRAF, MAPK9 MAP2K1 88/4885MAP2K2 71/4885ABCB11 2381/4885
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAP2K1 91/4885MAP2K2 82/4885ABCB11 2522/4885
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, RAF1 MAP2K1 45/4885MAP2K2 34/4885ABCB11 3583/4885
US-20090143579-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, MAPK9 MAP2K1 85/4885MAP2K2 69/4885ABCB11 2300/4885
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, CDK9 MAP2K1 61/4885MAP2K2 41/4885ABCB11 4039/4885

“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.