SCHEMBL4779397

SCHEMBL4779397

COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc2[nH]c(-c3cccc(CO)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 5/20 0.42
MGAT2 Q10469 1/20 0.42
MAPT P10636 1/20 0.40
DEGS1 O15121 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL4779402 1.00 DGAT2 (0.42) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL13987178 1.00 DGAT2 (0.42) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL13987163 0.90 DEGS1 (0.46) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL6445523 0.90 DEGS1 (0.46) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL4779805 0.90 DEGS1 (0.46) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL13987177 0.90 DGAT2 (0.41) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL4778126 0.90 DGAT2 (0.41) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL4778128 0.90 DGAT2 (0.41) DGAT2MGAT2MAPTDEGS1SMN1; SMN2
SCHEMBL13987193 0.89 ACKR3 (0.48) DGAT2MGAT2MAPTALDH1A1HTT
SCHEMBL4780394 0.89 ACKR3 (0.48) DGAT2MGAT2MAPTALDH1A1HTT

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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 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
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 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 (3 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA DGAT2 4148/4885MGAT2 4083/4885MAPT 3362/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA DGAT2 4028/4885MGAT2 3954/4885MAPT 3265/4885
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 3998/4885MAPT 3427/4885

“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.