SCHEMBL5124281

SCHEMBL5124281

CC[C@@H](C)Nc1nc(I)nc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.38
ACVR1 Q04771 1/20 0.36
PPARG P37231 1/20 0.36
BRD4 O60885 1/20 0.35
POLB P06746 1/20 0.34
ALDH3A1 P30838 1/20 0.34
HTT P42858 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HTR6 P50406 4/20 0.34
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32

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
SCHEMBL5113381 0.89 L3MBTL1 (0.45) L3MBTL1RAPGEF4ACVR1BRD4POLB
SCHEMBL5124659 0.84 L3MBTL1 (0.45) L3MBTL1RAPGEF4ACVR1BRD4POLB
SCHEMBL5117141 0.84 L3MBTL1 (0.43) L3MBTL1RAPGEF4ACVR1PPARGBRD4
SCHEMBL5116653 0.80 L3MBTL1 (0.45) L3MBTL1RAPGEF4ACVR1BRD4POLB
SCHEMBL5116808 0.79 L3MBTL1 (0.42) L3MBTL1RAPGEF4ACVR1BRD4POLB
SCHEMBL1015796 0.78 L3MBTL1 (0.41) L3MBTL1RAPGEF4ACVR1PPARGBRD4
SCHEMBL4393127 0.78 L3MBTL1 (0.41) L3MBTL1RAPGEF4ACVR1PPARGBRD4
SCHEMBL4793803 0.76 L3MBTL1 (0.50) L3MBTL1RAPGEF4BRD4POLBALDH3A1
SCHEMBL5123488 0.76 L3MBTL1 (0.45) L3MBTL1RAPGEF4ACVR1BRD4POLB
SCHEMBL12510363 0.73 L3MBTL1 (0.39) L3MBTL1ACVR1PPARGHTR6MEN1

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
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 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-20080004295-A1 NOVEL COMPOUNDS SYK, BTK, LCK L3MBTL1 3847/4885RAPGEF4 1741/4885ACVR1 4241/4885

“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.