SCHEMBL15730737

SCHEMBL15730737

Cc1ncccc1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.54
CDC7 O00311 1/20 0.54
ROCK2 O75116 1/20 0.54
PIM1 P11309 1/20 0.54
PRKACA P17612 1/20 0.54
CDK2 P24941 1/20 0.54
GSK3B P49841 1/20 0.54
HIPK2 Q9H2X6 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
TDO2 P48775 1/20 0.49
MTOR P42345 1/20 0.48
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
FYN P06241 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
SCHEMBL13036067 0.83 BCHE (0.47) MAP4K4PIM1PRKACAGSK3BCLK4
SCHEMBL15723925 0.81 MAP4K4 (0.50) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL15730771 0.80 MKNK1 (0.49) TDO2MKNK1MKNK2NISCHPRMT5
SCHEMBL11624257 0.80 MAP4K4 (0.69) MAP4K4PIM1HIPK2IRAK4MKNK1
SCHEMBL28357121 0.80 MAP4K4 (0.53) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL15674555 0.80 ALOX5AP (0.52) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL17067043 0.80 MAP4K4 (0.49) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL15730622 0.80 PDE2A (0.49) PDE2APDE10A
SCHEMBL28254626 0.79 BRD4 (0.52) MAP4K4CDC7ROCK2PIM1PRKACA
SCHEMBL7958867 0.79 MKNK1 (0.44) MAP4K4CDC7ROCK2PIM1PRKACA

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-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 (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-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

“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.