Sugi Predict

Sugi Predict / Compounds / SCHEMBL3704741

SCHEMBL3704741

SCHEMBL3704741

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Br)N1CCC(c2ccsc2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.37
▸ KDM5A P29375 2/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ ROCK1 Q13464 2/20 0.33
▸ PTK6 Q13882 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ HSD11B1 P28845 6/20 0.33
▸ RBP4 P02753 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL3683970 0.89 ROCK2 (0.51) ROCK2PROKR1KDM5ASCD5HSD11B1
SCHEMBL3696196 0.89 ROCK2 (0.43) ROCK2PROKR1KDM5ASCD5HSD11B1
SCHEMBL3695694 0.87 ROCK2 (0.38) ROCK2PROKR1KDM5ASCD5ROCK1
SCHEMBL3687393 0.87 ROCK2 (0.43) ROCK2PROKR1KDM5ASCD5RBP4
SCHEMBL3690446 0.85 PROKR1 (0.36) ROCK2PROKR1KDM5AROCK1PTK6
SCHEMBL3697888 0.84 PROKR1 (0.41) ROCK2PROKR1RBP4
SCHEMBL3693336 0.82 RBP4 (0.38) ROCK2PROKR1KDM5AROCK1PTK6
SCHEMBL3688399 0.80 LCK (0.33) ROCK2PTK6LCKAURKB
SCHEMBL3648370 0.80 ROCK2 (0.49) ROCK2PROKR1SCD5HSD11B1RBP4
SCHEMBL3648372 0.80 ROCK2 (0.49) ROCK2PROKR1SCD5HSD11B1RBP4

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
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ROCK2 4811/4885PROKR1 4829/4885KDM5A 3315/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ROCK2 4811/4885PROKR1 4829/4885KDM5A 3315/4885

“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.