SCHEMBL4907032

SCHEMBL4907032

COc1ccnc(-c2nc([S+](C)[O-])nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.48
LIMK1 P53667 3/20 0.46
BRAF P15056 4/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CDK8 P49336 4/20 0.44
CDK19 Q9BWU1 4/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CHUK O15111 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
BTK Q06187 1/20 0.41
EEF2K O00418 1/20 0.40

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
SCHEMBL4902938 0.82 LHCGR (0.55) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL5078586 0.79 IKBKB (0.47) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL4898195 0.78 BRAF (0.48) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL2134327 0.78 IKBKB (0.47) IKBKBLIMK1CDK8CDK19CHUK
SCHEMBL4907366 0.77 LHCGR (0.55) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL4898964 0.77 BRAF (0.69) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL4909057 0.75 BRAF (0.49) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL4907171 0.75 BRAF (0.71) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL2135726 0.74 BRAF (0.53) IKBKBLIMK1BRAFPDE4APDE4B
SCHEMBL2133302 0.73 LIMK1 (0.54) IKBKBLIMK1BRAFPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF IKBKB 361/4885LIMK1 2554/4885BRAF 3/4885

“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.