SCHEMBL3529546

SCHEMBL3529546

CC1(C)OCC(CONC(=O)c2ccc(F)nc2Nc2ccc(I)cc2F)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 0.43
MAP2K2 P36507 4/20 0.42
BRAF P15056 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K5 Q13163 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAF1 P04049 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
AURKC Q9UQB9 1/20 0.41

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
SCHEMBL3527636 1.00 MAP2K1 (0.47) MAP2K1MEN1KMT2ATDP1PIM1
SCHEMBL3528564 0.85 MAP2K1 (0.44) MAP2K1MEN1KMT2ATDP1PIM1
SCHEMBL4851889 0.84 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1PIM1
SCHEMBL4852779 0.84 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1PIM1
SCHEMBL30584462 0.84 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1PIM1
SCHEMBL2023262 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2024343 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2023048 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2020051 0.82 MAP2K1 (0.46) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL1580597 0.82 MAP2K1 (0.67) MAP2K1MEN1KMT2ATDP1PIM1

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
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 US claimed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US claimed
WO-2007123939-A2 NOVEL ARYLAMINO N-HETERARYLS AS MEK INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-11-01 WO claimed
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-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
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 50/4885MEN1 2012/4885KMT2A 1038/4885
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors NRAS, MAP3K19, MAP3K1 MAP2K1 48/4885MEN1 2034/4885KMT2A 1044/4885

“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.