SCHEMBL2179985

SCHEMBL2179985

Oc1cnc2nc(-c3cn(Cc4cc(Cl)c(Cl)c(Cl)c4)nn3)sc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ROCK2 O75116 3/20 0.36
PIM1 P11309 3/20 0.36
GSK3B P49841 3/20 0.36
AURKB Q96GD4 3/20 0.36
SCD O00767 1/20 0.36
KDR P35968 1/20 0.35
NR1I3 Q14994 3/20 0.35
EGLN1 Q9GZT9 2/20 0.35
ESRRG P62508 1/20 0.34
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL12408989 0.92 MAPT (0.40) MAPTROCK2PIM1GSK3BAURKB
SCHEMBL2178963 0.82 SCD (0.39) MAPTSCDEGLN1
SCHEMBL2181543 0.82 ROCK2 (0.37) ROCK2PIM1GSK3BAURKBKDR
SCHEMBL2176716 0.78 SCD (0.37) MAPTROCK2PIM1GSK3BAURKB
SCHEMBL2178679 0.78 SCD (0.36) MAPTSCDNR1I3EGLN1
SCHEMBL12408991 0.75 SCD (0.42) MAPTSCDEGLN1
SCHEMBL12408988 0.74 ROCK2 (0.36) MAPTROCK2PIM1GSK3BAURKB
SCHEMBL2178356 0.73 EGLN1 (0.36) ROCK2PIM1GSK3BAURKBSCD
SCHEMBL1987880 0.72 SCD (0.41) MAPTSCDNR1I3EGLN1
SCHEMBL1970393 0.71 MAPT (0.41) MAPTROCK2PIM1GSK3BAURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 US disclosed
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 US disclosed
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 US disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 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-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A MAPT 2772/4885ROCK2 2931/4885PIM1 1663/4885

“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.