Sugi Predict

Sugi Predict / Compounds / SCHEMBL2605116

SCHEMBL2605116

SCHEMBL2605116

Nc1ncc(-c2cccc3c2-c2ccccc2C3NC(=O)c2ccnc3[nH]ccc23)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 5/20 0.60
▸ NUDT1 P36639 1/20 0.38
▸ IKBKE Q14164 3/20 0.37
▸ TBK1 Q9UHD2 3/20 0.37
▸ TNKS O95271 1/20 0.37
▸ PRKCI P41743 2/20 0.37
▸ ACHE P22303 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ AKT1 P31749 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ IGF1R P08069 1/20 0.34

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
SCHEMBL2605111 0.88 HSP90AB1 (0.59) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL2605099 0.88 HSP90AB1 (0.66) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL2605055 0.87 HSP90AB1 (0.65) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL2605114 0.86 HSP90AB1 (0.64) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL2079662 0.86 HSP90AB1 (0.66) HSP90AB1NUDT1AURKBJAK2PRKD3
SCHEMBL3556400 0.85 HSP90AB1 (0.67) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL3556403 0.85 HSP90AB1 (0.67) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL3556397 0.85 HSP90AB1 (0.67) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL2605013 0.85 HSP90AB1 (0.64) HSP90AB1NUDT1IKBKETBK1TNKS
SCHEMBL10244431 0.84 HSP90AB1 (0.67) HSP90AB1NUDT1TNKSPRKCIACHE

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 3/4885NUDT1 2755/4885IKBKE 2193/4885

“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.