SCHEMBL2605046

SCHEMBL2605046

O=C(NC1c2ccccc2-c2c(-c3cnn(Cc4ccccc4)c3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.58
JAK1 P23458 3/20 0.47
ACHE P22303 2/20 0.42
GSK3B P49841 2/20 0.42
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PDK2 Q15119 1/20 0.40
ALK Q9UM73 2/20 0.39
GRM4 Q14833 1/20 0.39
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
KLKB1 P03952 1/20 0.38
TNKS O95271 1/20 0.38
MAPK1 P28482 1/20 0.38
POLQ O75417 1/20 0.38

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
SCHEMBL2605045 0.86 HSP90AB1 (0.62) HSP90AB1ACHEGSK3BJAK2JAK3
SCHEMBL2077847 0.81 HSP90AB1 (0.69) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL2605027 0.81 HSP90AB1 (0.71) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL2605099 0.80 HSP90AB1 (0.66) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL2605106 0.80 HSP90AB1 (0.66) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL2605077 0.80 HSP90AB1 (0.63) HSP90AB1ACHEGSK3BJAK2JAK3
SCHEMBL3556400 0.80 HSP90AB1 (0.67) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL3556397 0.80 HSP90AB1 (0.67) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL3556403 0.80 HSP90AB1 (0.67) HSP90AB1JAK1ACHEGSK3BJAK2
SCHEMBL2605055 0.80 HSP90AB1 (0.65) HSP90AB1ACHEGSK3BJAK2JAK3

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 3/4885JAK1 4451/4885ACHE 4827/4885

“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.