SCHEMBL12895503

SCHEMBL12895503

C[C@@H](CONC(=O)c1sc2ccncc2c1Nc1ccc(Br)cc1F)COC(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.41
ABCB11 O95342 1/20 0.36
NQO2 P16083 1/20 0.36
MAP2K2 P36507 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL12895244 0.94 MAP2K1 (0.41) MAP2K1ABCB11NQO2MAP2K2KCNH2
SCHEMBL12894927 0.91 MAP2K1 (0.50) MAP2K1MAP2K2KCNH2
SCHEMBL12895182 0.85 MAP2K1 (0.48) MAP2K1MAP2K2KCNH2
SCHEMBL1217020 0.84 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL14227911 0.83 MAP2K1 (0.60) MAP2K1ABCB11NQO2MAP2K2KCNH2
SCHEMBL1219314 0.78 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL1219042 0.78 MAP2K1 (0.41) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL4000893 0.77 GAA (0.44) MAP2K1GAA
SCHEMBL1216151 0.76 MAP2K1 (0.44) MAP2K1GAA
SCHEMBL13062702 0.75 MAP2K1 (0.51) MAP2K1MAP2K2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 MAP2K1 38/4885ABCB11 2030/4885NQO2 968/4885

“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.