Sugi Predict

Sugi Predict / Compounds / SCHEMBL2605036

SCHEMBL2605036

SCHEMBL2605036

COc1ncc(-c2cccc3c2-c2ccccc2C3NC(=O)c2ccnc3[nH]ccc23)c(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.62
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ NUDT1 P36639 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ GSK3B P49841 3/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PIM1 P11309 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
SCHEMBL2605047 0.88 HSP90AB1 (0.61) HSP90AB1TNKSNUDT1GAAGSK3B
SCHEMBL2605037 0.88 HSP90AB1 (0.63) HSP90AB1TNKSNUDT1GAAGSK3B
SCHEMBL2605100 0.83 HSP90AB1 (0.63) HSP90AB1TNKSNUDT1GAAGSK3B
SCHEMBL2605031 0.83 HSP90AB1 (0.63) HSP90AB1TNKSNUDT1GAAGSK3B
SCHEMBL13347439 0.82 HSP90AB1 (0.66) HSP90AB1TNKSNUDT1GSK3BJAK2
SCHEMBL3556397 0.81 HSP90AB1 (0.67) HSP90AB1TNKSNUDT1GSK3BJAK2
SCHEMBL3556403 0.81 HSP90AB1 (0.67) HSP90AB1TNKSNUDT1GSK3BJAK2
SCHEMBL3556400 0.81 HSP90AB1 (0.67) HSP90AB1TNKSNUDT1GSK3BJAK2
SCHEMBL2605064 0.81 HSP90AB1 (0.65) HSP90AB1TNKSNUDT1JAK2JAK1
SCHEMBL2605026 0.81 HSP90AB1 (0.72) HSP90AB1TNKSNUDT1GSK3BJAK2

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-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 — — US disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 — — US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 — — US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 — — 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 HSP90AB1 3/4885GABRG2 3510/4885GABRB3 3907/4885

“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.