SCHEMBL15723925

SCHEMBL15723925

CC(C)c1ncccc1-c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.50
CDC7 O00311 1/20 0.50
ROCK2 O75116 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50
CDK2 P24941 1/20 0.50
GSK3B P49841 1/20 0.50
HIPK2 Q9H2X6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
GRM5 P41594 1/20 0.41
GCGR P47871 1/20 0.40
MAOB P27338 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 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
SCHEMBL15723895 0.81 BCHE (0.44) MAP4K4PIM1PRKACAGSK3BCLK4
SCHEMBL9963326 0.81 GCGR (0.42) GCGR
SCHEMBL15730737 0.81 MAP4K4 (0.54) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL15723959 0.80 FEN1 (0.45) MAOBALOX5APFEN1
SCHEMBL18854065 0.80 ALDH1A1 (0.46) MAOBNOTUM
SCHEMBL15723914 0.78 PTPN5 (0.40) MAP4K4MAOB
SCHEMBL15723950 0.78 PTGS1 (0.44) GCGR
SCHEMBL15723901 0.78 TGFBR1 (0.41) PIM1GSK3BCLK4ALOX5APFEN1
SCHEMBL14555874 0.76 ALOX5AP (0.38) GRM5MAOBALOX5APFEN1
SCHEMBL15724371 0.76 FEN1 (0.45) MAP4K4ALOX5APFEN1TP53

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (4 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CDC7 2848/4885ROCK2 749/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CDC7 2848/4885ROCK2 749/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CDC7 2848/4885ROCK2 749/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885CDC7 2848/4885ROCK2 749/4885

“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.