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SCHEMBL13987178

SCHEMBL13987178

COC(=O)c1cc(NC(=O)C2C[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
SCHEMBL4779397 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 4 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
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
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-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

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 3998/4885MAPT 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.