SCHEMBL1580002

SCHEMBL1580002

O=C(NOC[C@H](O)CO)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 1.00
MAP2K2 P36507 4/20 0.70
BRAF P15056 1/20 0.70
MAPK1 P28482 1/20 0.70
MAP2K5 Q13163 1/20 0.70

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
SCHEMBL1580687 0.88 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL1580265 0.87 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2295504 0.84 MAP2K1 (0.81) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL1580481 0.83 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2293142 0.83 MAP2K1 (0.77) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL29352748 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL895854 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL29358470 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL172904 0.82 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
Mirdametinib SCHEMBL453656 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US claimed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
EP-2310373-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS Genentech, Inc. (US) 2011-04-20 EP disclosed
WO-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 MAP2K1 11/4885MAP2K2 4/4885BRAF 18/4885

“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.