SCHEMBL711027

SCHEMBL711027

CC(C)(C)OC(=O)n1c(=O)n(-c2ccc(Br)cc2F)c2c(F)c(=O)n3c(c21)CCC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
BACE1 P56817 5/20 0.33
MAPT P10636 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MAP2K1 Q02750 3/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31

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
SCHEMBL696821 0.87 USP30 (0.36) USP30PDE3BPDE3ARXFP1BACE1
SCHEMBL13613839 0.81 RXFP1 (0.35) PDE3BPDE3ARXFP1MAPTSLC22A12
SCHEMBL13148379 0.79 RXFP1 (0.36) PDE3BPDE3ARXFP1MAPTMAP2K1
SCHEMBL13628793 0.76 MAPT (0.35) PDE3BPDE3ARXFP1MAPTMAP2K1
SCHEMBL696412 0.74 RXFP1 (0.33) PDE3BPDE3ARXFP1CCR1CCR2
SCHEMBL3796822 0.72 SLC22A12 (0.34) PDE3BPDE3ARXFP1MAPTSLC22A12
SCHEMBL693391 0.71 MEN1 (0.35) PDE3BPDE3ARXFP1MAPTMAP2K1
SCHEMBL696539 0.70 MAP2K1 (0.46) MAP2K1
SCHEMBL13148515 0.69 MAP2K1 (0.30) MAP2K1
SCHEMBL693627 0.68 MAOB (0.30)

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 USP30 3654/4885PDE3B 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.