SCHEMBL4778658

SCHEMBL4778658

COC(=O)c1cc(NC(=O)C2CC2c2ccccc2)cc2[nH]c(-c3cccc(CN(C(=O)OC(C)(C)C)C4CCC4)c3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 5/20 0.35
MGAT2 Q10469 2/20 0.35
ACKR3 P25106 1/20 0.34
EZH2 Q15910 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
DEGS1 O15121 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 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
SCHEMBL4817034 1.00 DGAT2 (0.35) DGAT2MGAT2ACKR3EZH2HSD11B1
SCHEMBL13987190 1.00 DGAT2 (0.35) DGAT2MGAT2ACKR3EZH2HSD11B1
SCHEMBL14144130 0.86 JAK2 (0.35) HSD11B1MAPTJAK2ROCK2ROCK1
SCHEMBL13987178 0.83 DGAT2 (0.42) DGAT2MGAT2ACKR3MAPTPTGDR2
SCHEMBL4779397 0.83 DGAT2 (0.42) DGAT2MGAT2ACKR3MAPTPTGDR2
SCHEMBL4779402 0.83 DGAT2 (0.42) DGAT2MGAT2ACKR3MAPTPTGDR2
SCHEMBL4780396 0.81 ACKR3 (0.48) DGAT2MGAT2ACKR3MAPTPTGDR2
SCHEMBL4780394 0.81 ACKR3 (0.48) DGAT2MGAT2ACKR3MAPTPTGDR2
SCHEMBL13987193 0.81 ACKR3 (0.48) DGAT2MGAT2ACKR3MAPTPTGDR2
SCHEMBL6445523 0.81 DEGS1 (0.46) DGAT2MGAT2MAPTLPAR2DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 US disclosed
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 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-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA DGAT2 3935/4885MGAT2 3998/4885ACKR3 1532/4885

“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.