SCHEMBL4335977

SCHEMBL4335977

Cc1noc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCC3CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.55
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAP2K2 P36507 2/20 0.41
ABCB11 O95342 1/20 0.41
NQO2 P16083 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
SCHEMBL4326005 0.82 MAP2K1 (0.59) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4344176 0.81 MAP2K1 (0.41) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL1344228 0.81 MAP2K1 (0.45) MAP2K1MEN1KMT2AMAP2K2ABCB11
SCHEMBL13750460 0.78 MAP2K1 (0.57) MAP2K1MAP2K2ABCB11NQO2CSNK2A2
SCHEMBL3979551 0.76 MAP2K1 (0.53) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL14021208 0.74 MAP2K1 (0.72) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL391167 0.74 MAP2K1 (0.66) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4330906 0.73 MAP2K1 (0.42) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3424819 0.73 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL1341935 0.72 BRD4 (0.34) MAP2K1

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 77/4885MEN1 1841/4885KMT2A 1909/4885

“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.