SCHEMBL13613869

SCHEMBL13613869

O=c1c(F)c(Nc2ccc(Br)cc2F)c(NS(=O)(=O)C2CCCCC2)c2n1CCC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.41
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL696012 0.97 MAP2K1 (0.42) MAP2K1MAPTALOX15TSHR
SCHEMBL694593 0.88 MAP2K1 (0.44) MAP2K1ALOX15TSHR
SCHEMBL697138 0.88 MAP2K1 (0.38) MAP2K1MAPTALOX15TSHR
SCHEMBL697078 0.84 MAP2K1 (0.40) MAP2K1MAPTALOX15TSHR
SCHEMBL13148380 0.83 MAP2K1 (0.51) MAP2K1
SCHEMBL692646 0.83 MAP2K1 (0.43) MAP2K1MAPTALOX15TSHR
SCHEMBL692714 0.81 MAP2K1 (0.42) MAP2K1
SCHEMBL693119 0.80 MAP2K1 (0.45) MAP2K1MAPT
SCHEMBL695945 0.80 MAP2K1 (0.42) MAP2K1
SCHEMBL696986 0.80 MAP2K1 (0.40) MAP2K1MAPT

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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 MAP2K1 48/4885MAPT 3907/4885ALOX15 836/4885

“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.