SCHEMBL3528564

SCHEMBL3528564

CC1(C)OC[C@H](CONC(=O)c2cc(Cl)nnc2Nc2ccc(I)cc2F)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.44
MAP2K2 P36507 5/20 0.42
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIM1 P11309 1/20 0.40
CAMK2B Q13554 1/20 0.40
MAP2K5 Q13163 2/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3529546 0.85 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL3527636 0.85 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2025095 0.83 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2025366 0.83 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL2024343 0.82 MAP2K1 (0.51) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL2023262 0.82 MAP2K1 (0.51) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL2023048 0.82 MAP2K1 (0.51) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL30584462 0.81 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4851889 0.81 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4852779 0.81 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 US disclosed
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 US disclosed
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
WO-2007123939-A2 NOVEL ARYLAMINO N-HETERARYLS AS MEK INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-11-01 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 (2 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-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS NRAS, MAP3K19, MAP3K20 MAP2K1 50/4885MAP2K2 42/4885RAF1 20/4885
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors NRAS, MAP3K19, MAP3K1 MAP2K1 48/4885MAP2K2 39/4885RAF1 25/4885

“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.