SCHEMBL4905960

SCHEMBL4905960

CNC(=O)c1sc2nc(SC)nc(-c3ccc(F)c(C)c3)c2c1N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.61
TSHR P16473 2/20 0.55
BRAF P15056 3/20 0.47
FSHR P23945 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
CHRM4 P08173 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4908873 0.90 LHCGR (0.55) LHCGRTSHRBRAFFSHRMEN1
SCHEMBL4899393 0.86 BRAF (0.58) LHCGRBRAFNPC1RAB9AMEN1
SCHEMBL4909137 0.85 LHCGR (0.54) LHCGRTSHRFSHRNPC1RAB9A
SCHEMBL5136975 0.85 LHCGR (0.51) LHCGRTSHRBRAFFSHRNPC1
SCHEMBL17467741 0.80 LHCGR (0.82) LHCGRTSHRBRAFFSHRNPC1
SCHEMBL14281547 0.78 IKBKB (0.46) NPC1RAB9AMEN1KMT2ACHRM4
SCHEMBL14466565 0.76 BRAF (0.70) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4313210 0.76 LHCGR (1.00) LHCGRTSHRBRAFFSHRNPC1
SCHEMBL6215212 0.73 MAPT (0.55) LHCGRTSHRBRAFNPC1RAB9A
SCHEMBL6927090 0.73 LHCGR (0.64) LHCGRTSHRBRAFFSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1074/4885BRAF 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.