Sugi Predict

Sugi Predict / Compounds / SCHEMBL2605070

SCHEMBL2605070

SCHEMBL2605070

O=C(NC1c2ccccc2-c2c(-c3ccc(-n4cccc4)nc3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.61
▸ TNKS O95271 1/20 0.38
▸ NUDT1 P36639 3/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ GSK3B P49841 3/20 0.35
▸ ACHE P22303 2/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ IKBKB O14920 2/20 0.33
▸ CHUK O15111 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ NEK1 Q96PY6 1/20 0.33
▸ DAPK3 O43293 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ PRKD3 O94806 2/20 0.33
▸ MAP4K4 O95819 2/20 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
SCHEMBL2605019 0.88 HSP90AB1 (0.58) HSP90AB1TNKSGSK3BACHEKCNH2
SCHEMBL2605106 0.87 HSP90AB1 (0.66) HSP90AB1TNKSNUDT1GSK3BACHE
SCHEMBL2076573 0.86 HSP90AB1 (0.57) HSP90AB1TNKS
SCHEMBL2077819 0.86 HSP90AB1 (0.65) HSP90AB1TNKSNUDT1GSK3BACHE
SCHEMBL2605055 0.86 HSP90AB1 (0.65) HSP90AB1TNKSNUDT1GSK3BACHE
SCHEMBL2605099 0.85 HSP90AB1 (0.66) HSP90AB1TNKSNUDT1GSK3BACHE
SCHEMBL2605031 0.84 HSP90AB1 (0.63) HSP90AB1TNKSNUDT1CCNKCDK12
SCHEMBL2605077 0.84 HSP90AB1 (0.63) HSP90AB1TNKSNUDT1GSK3BACHE
SCHEMBL2605013 0.84 HSP90AB1 (0.64) HSP90AB1TNKSNUDT1GSK3BPRKCI
SCHEMBL2077847 0.84 HSP90AB1 (0.69) HSP90AB1TNKSNUDT1GSK3BACHE

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 3/4885TNKS 3162/4885NUDT1 2755/4885

“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.