SCHEMBL696579

SCHEMBL696579

Cc1c(=O)n2c(c3c1n(-c1ccc(Br)cc1F)c(=O)n3S(=O)(=O)C1CC1)CCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CCR1 P32246 2/20 0.32
CCR2 P41597 2/20 0.32
MAOB P27338 2/20 0.31
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 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
SCHEMBL696412 0.91 RXFP1 (0.33) RXFP1PDE3BPDE3AALOX15TSHR
SCHEMBL698378 0.85 CCR1 (0.32) RXFP1ALOX15TSHRCCR1CCR2
SCHEMBL13147936 0.81 MAP2K1 (0.32) RXFP1
SCHEMBL693816 0.81 MAOB (0.31) RXFP1MAOB
SCHEMBL692885 0.75 RXFP1 (0.35) RXFP1ALOX15TSHRCCR1CCR2
SCHEMBL693009 0.75 RXFP1 (0.35) RXFP1PDE3BPDE3ACCR1CCR2
SCHEMBL13148379 0.72 RXFP1 (0.36) RXFP1PDE3BPDE3ACCR1CCR2
SCHEMBL13148515 0.72 MAP2K1 (0.30)
SCHEMBL693627 0.71 MAOB (0.30) MAOB
SCHEMBL694593 0.71 MAP2K1 (0.44) ALOX15TSHRTP53

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 RXFP1 4597/4885PDE3B 1543/4885PDE3A 2234/4885

“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.