SCHEMBL2363113

SCHEMBL2363113

C=COCCONC(=O)c1nn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.56
ABCB11 O95342 1/20 0.46
NQO2 P16083 1/20 0.46
MAP2K2 P36507 1/20 0.46

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
SCHEMBL388536 0.91 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL570251 0.88 MAP2K1 (0.71) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL29541623 0.88 MAP2K1 (0.71) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL393707 0.88 MAP2K1 (0.71) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL391890 0.83 MAP2K1 (0.58) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL391889 0.83 MAP2K1 (0.58) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL391796 0.82 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL391795 0.82 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL15866541 0.82 MAP2K1 (0.51) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL388476 0.81 MAP2K1 (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011095807-A1 COMBINATIONS OF MEK AND HH INHIBITORS ASTRAZENECA AB (SE) 2011-08-11 WO disclosed
EP-2231281-A2 COMBINATION COMPRISING A MEK INHIBITOR AND AN AURORA KINASE INHIBITOR AstraZeneca AB (SE) 2010-09-29 EP disclosed
EP-2217234-A2 COMBINATIONS OF MEK INHIBITORS WITH MTOR INHIBITORS AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20100004247-A1 COMBINATION COMPRISING A MEK INHIBITOR AND AN AURORA KINASE INHIBITOR 188 ASTRAZENECA AB (SE) 2010-01-07 US disclosed
WO-2009074827-A2 COMBINATION COMPRISING A MEK INHIBITOR AND AN AURORA KINASE INHIBITOR 188 ASTRAZENECA AB (SE) 2009-06-18 WO disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
US-20090099174-A1 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 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 (1 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-20090099174-A1 COMBINATION 059 MTOR, RICTOR, MAPK9 MAP2K1 23/4885ABCB11 2351/4885NQO2 867/4885

“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.