SCHEMBL393103

SCHEMBL393103

C[C@H](O)CONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.81
ABCB11 O95342 1/20 0.53
NQO2 P16083 1/20 0.53
MAP2K2 P36507 1/20 0.53

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
SCHEMBL5492444 1.00 MAP2K1 (0.81) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL393767 0.89 MAP2K1 (1.00) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL390352 0.89 MAP2K1 (0.67) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL393718 0.89 MAP2K1 (0.67) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL10254834 0.89 MAP2K1 (0.67) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL5497932 0.88 MAP2K1 (0.86) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL392789 0.88 MAP2K1 (1.00) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL392278 0.86 MAP2K1 (1.00) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL390435 0.86 MAP2K1 (0.83) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL393781 0.85 MAP2K1 (1.00) MAP2K1ABCB11NQO2MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8211920-B2 6-oxo-1,6-dihydropyridine derivatives as inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-8211920-B2 6-oxo-1,6-dihydropyridine derivatives as inhibitors of MEK and methods of use thereof 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-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 73/4885ABCB11 2439/4885NQO2 288/4885
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE NRAS, BRAF, MAPK9 MAP2K1 88/4885ABCB11 2381/4885NQO2 296/4885
US-20090143389-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAP2K1 91/4885ABCB11 2522/4885NQO2 285/4885
US-20130018075-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, RAF1 MAP2K1 45/4885ABCB11 3583/4885NQO2 279/4885
US-20090143579-A1 Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, MAPK9 MAP2K1 85/4885ABCB11 2300/4885NQO2 260/4885
US-20120263679-A1 Combinations Comprising Heterocyclic Inhibitors of MEK and Methods of Use Thereof NRAS, BRAF, CDK9 MAP2K1 61/4885ABCB11 4039/4885NQO2 402/4885

“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.