SCHEMBL4908873

SCHEMBL4908873

CSc1nc(-c2ccc(F)c(C)c2)c2c(N)c(C(=O)O)sc2n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.55
TSHR P16473 2/20 0.50
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
BRAF P15056 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FSHR P23945 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL4905960 0.90 LHCGR (0.61) LHCGRTSHRMAPTKDM4EBRAF
SCHEMBL4909137 0.87 LHCGR (0.54) LHCGRTSHRMAPTKDM4EFSHR
SCHEMBL5136975 0.86 LHCGR (0.51) LHCGRTSHRMAPTKDM4EBRAF
SCHEMBL6215212 0.84 MAPT (0.55) LHCGRTSHRMAPTKDM4EBRAF
SCHEMBL4899220 0.83 BRAF (0.61) LHCGRTSHRMAPTBRAFMEN1
SCHEMBL6216455 0.82 LHCGR (0.59) LHCGRTSHRMAPTKDM4EMEN1
SCHEMBL2133864 0.82 LHCGR (0.60) LHCGRTSHRMAPTKDM4EBRAF
SCHEMBL5025967 0.82 LHCGR (0.62) LHCGRTSHRMAPTKDM4EBRAF
SCHEMBL6217388 0.81 LHCGR (0.59) LHCGRTSHRMAPTMEN1KMT2A
SCHEMBL4419261 0.79 LHCGR (0.77) LHCGRTSHRMAPTKDM4EBRAF

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 LHCGR 2693/4885TSHR 1074/4885MAPT 3324/4885

“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.