SCHEMBL3529782

SCHEMBL3529782

O=C(NOCC(O)CO)c1ccc(F)nc1Nc1ccc(I)cc1F

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 20/20 0.69
▸ MAP2K2 P36507 3/20 0.69
▸ BRAF P15056 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ MAP2K5 Q13163 1/20 0.69

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
SCHEMBL3529781 1.00 MAP2K1 (0.69) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL24195789 0.88 MAP2K1 (0.64) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL24195673 0.88 MAP2K1 (0.64) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL24195672 0.88 MAP2K1 (0.64) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4860874 0.83 MAP2K1 (0.73) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL13119544 0.83 MAP2K1 (0.65) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4854513 0.83 MAP2K1 (0.73) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL29358470 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL895854 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL172904 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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-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
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 50/4885MAP2K2 42/4885BRAF 5/4885
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors NRAS, MAP3K19, MAP3K1 MAP2K1 48/4885MAP2K2 39/4885BRAF 5/4885

“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.

Send feedback