Sugi Predict

Sugi Predict / Compounds / SCHEMBL10246329

SCHEMBL10246329

SCHEMBL10246329

O=C(NC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ncnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.49
▸ JAK3 P52333 3/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ PDGFRA P16234 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37

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
SCHEMBL10244431 0.86 HSP90AB1 (0.67) HSP90AB1PDGFRBPDGFRAMAP4K4CLK4
SCHEMBL2077409 0.79 HSP90AB1 (0.41) HSP90AB1MAP4K4CLK4KDRPIK3CA
SCHEMBL2079662 0.77 HSP90AB1 (0.66) HSP90AB1PDGFRBPDGFRAMAP4K4CLK4
SCHEMBL2605039 0.77 HSP90AB1 (0.63) HSP90AB1KDRGSK3BDYRK1B
SCHEMBL2605116 0.74 HSP90AB1 (0.60) HSP90AB1JAK3MAP4K4CLK4JAK2
SCHEMBL2077894 0.74 HSP90AB1 (0.39) HSP90AB1PDGFRBPDGFRAMAP4K4CLK4
SCHEMBL2605099 0.73 HSP90AB1 (0.66) HSP90AB1JAK3PDGFRBPDGFRAMAP4K4
SCHEMBL2605055 0.72 HSP90AB1 (0.65) HSP90AB1JAK3PDGFRBPDGFRAMAP4K4
SCHEMBL2077847 0.72 HSP90AB1 (0.69) HSP90AB1JAK3PDGFRBPDGFRAMAP4K4
SCHEMBL2078323 0.71 HSP90AB1 (0.69) HSP90AB1JAK3PDGFRBPDGFRAMAP4K4

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-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
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 — — 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 HSP90AB1 3/4885JAK3 4594/4885PDGFRB 1772/4885

“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.