SCHEMBL2624059

SCHEMBL2624059

CC(C)n1c(Cl)nc2c(-c3nc(C4CCN(C)CC4)cs3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
APLNR P35414 3/20 0.32
AXL P30530 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
HIPK3 Q9H422 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1688346 0.92 NPC1 (0.36) MAPK14MAPK13MAPK12MAPK11APLNR
SCHEMBL12730472 0.90 IDO1 (0.35) MAPK14MAPK13MAPK12MAPK11APLNR
SCHEMBL1654372 0.90 AXL (0.35) MAPK14MAPK13MAPK12MAPK11APLNR
SCHEMBL878222 0.89 IDO1 (0.36) APLNRAXLMEN1NPC1ALDH1A1
SCHEMBL10166379 0.89 ALDH1A1 (0.38) MAPK14MAPK13MAPK12MAPK11APLNR
SCHEMBL2624061 0.88 PLAT (0.38) AXLCLK1CLK2DYRK1AHIPK1
SCHEMBL2624052 0.88 PIK3R2 (0.34) APLNRMEN1NPC1ALDH1A1MAPT
SCHEMBL2624055 0.79 ALDH1A1 (0.32) AXLMEN1ALDH1A1HPGDKMT2A
SCHEMBL12730182 0.77 ALDH1A1 (0.41) APLNRMEN1NPC1ALDH1A1MAPT
SCHEMBL12730460 0.77 ALDH1A1 (0.38) APLNRNPC1ALDH1A1MAPTHPGD

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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 WO 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MAPK14 2243/4885MAPK13 3088/4885MAPK12 3549/4885

“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.