SCHEMBL698378

SCHEMBL698378

O=c1cc2c(c3n1CCC3)n(S(=O)(=O)C1CC1)c(=O)n2-c1ccc(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.32
CCR2 P41597 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
OPRM1 P35372 2/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL692885 0.88 RXFP1 (0.35) CCR1CCR2RXFP1ALOX15TSHR
SCHEMBL696412 0.86 RXFP1 (0.33) CCR1CCR2RXFP1ALOX15TSHR
SCHEMBL696579 0.85 RXFP1 (0.34) CCR1CCR2RXFP1ALOX15TSHR
SCHEMBL4338582 0.84 HTR6 (0.37) TSHR
SCHEMBL697674 0.81 NR1H3 (0.35) TSHR
SCHEMBL3796822 0.78 SLC22A12 (0.34) CCR1CCR2RXFP1
SCHEMBL696821 0.73 USP30 (0.36) CCR1CCR2RXFP1
SCHEMBL699800 0.71 MEN1 (0.39) RXFP1OPRM1
SCHEMBL697078 0.69 MAP2K1 (0.40) ALOX15TSHR
SCHEMBL13148379 0.69 RXFP1 (0.36) CCR1CCR2RXFP1

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
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
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
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 CCR1 970/4885CCR2 704/4885RXFP1 4597/4885

“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.