SCHEMBL4326005

SCHEMBL4326005

Cc1c2nc(C(=O)NOCC3CC3)c(Nc3ccc(Br)cc3F)c(F)c2nn1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.59
MAP2K2 P36507 2/20 0.46
ABCB11 O95342 1/20 0.46
NQO2 P16083 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RET P07949 1/20 0.41
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
AURKC Q9UQB9 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40

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
SCHEMBL4335977 0.82 MAP2K1 (0.55) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL4337754 0.81 L3MBTL1 (0.45) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL4327409 0.81 MAP2K1 (0.50) MAP2K1MAP2K2ABCB11NQO2KMT2A
SCHEMBL391167 0.80 MAP2K1 (0.66) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL13750471 0.79 MAP2K1 (0.60) MAP2K1MAP2K2ABCB11NQO2CSNK2A2
SCHEMBL3424819 0.74 MAP2K1 (0.62) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL393781 0.74 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14021208 0.74 MAP2K1 (0.72) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL391225 0.74 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL4324520 0.73 MAP2K1 (0.46) MAP2K1MAP2K2ABCB11NQO2CSNK2A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 US disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 77/4885MAP2K2 63/4885ABCB11 2169/4885

“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.