Sugi Predict

Sugi Predict / Compounds / SCHEMBL2183548

SCHEMBL2183548

SCHEMBL2183548

CCOCCNc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ CHEK2 O96017 3/20 0.35
▸ F10 P00742 2/20 0.34
▸ PLG P00747 2/20 0.34
▸ PLAU P00749 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ PARP1 P09874 3/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL2183470 0.93 CHEK2 (0.35) HSP90AA1AMY1ACHEK2PRMT5WDR77
SCHEMBL2184484 0.90 HSP90AA1 (0.36) HSP90AA1AMY1ACHEK2PARP1
SCHEMBL2182172 0.90 AMY1A (0.38) HSP90AA1AMY1ACHEK2PRMT5WDR77
SCHEMBL2185287 0.90 CHEK2 (0.38) HSP90AA1AMY1ACHEK2PARP1CYP1A2
SCHEMBL2179755 0.90 CHEK2 (0.38) AMY1ACHEK2PARP1MMP13HDAC6
SCHEMBL2184560 0.90 CHEK2 (0.38) AMY1ACHEK2F10PLGPLAU
SCHEMBL2183551 0.89 CHEK2 (0.37) AMY1ACHEK2PARP1MMP13HDAC6
SCHEMBL2182875 0.89 HSP90AA1 (0.36) HSP90AA1AMY1ACHEK2PARP1CYP1A2
SCHEMBL2182397 0.89 PARP1 (0.36) HSP90AA1AMY1ACHEK2PRMT5WDR77
SCHEMBL13658333 0.89 CHEK2 (0.36) HSP90AA1AMY1ACHEK2PRMT5WDR77

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 — — US disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 — — US disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 — — US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 — — US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 — — US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 — — US disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 — — 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885AMY1A 3371/4885CHEK2 2483/4885

“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.