SCHEMBL2605039

SCHEMBL2605039

O=C(NC1c2ccccc2-c2c(-c3ccc4ncccc4c3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.63
ADORA1 P30542 1/20 0.40
ADORA2A P29274 2/20 0.39
PRKCI P41743 2/20 0.38
NUDT1 P36639 1/20 0.37
KDR P35968 1/20 0.37
GSK3B P49841 1/20 0.37
TNKS O95271 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MCL1 Q07820 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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 0.90 HSP90AB1 (0.67) HSP90AB1PRKCINUDT1GSK3BTNKS
SCHEMBL2605020 0.88 HSP90AB1 (0.65) HSP90AB1PRKCINUDT1KDRTNKS
SCHEMBL2605119 0.86 HSP90AB1 (0.61) HSP90AB1PRKCINUDT1GSK3BTNKS
SCHEMBL2605083 0.86 HSP90AB1 (0.61) HSP90AB1PRKCINUDT1GSK3BTNKS
SCHEMBL2605025 0.85 HSP90AB1 (0.60) HSP90AB1PRKCINUDT1KDRGSK3B
SCHEMBL2079662 0.85 HSP90AB1 (0.66) HSP90AB1NUDT1KDRCCNCCDK8
SCHEMBL2605014 0.85 HSP90AB1 (0.66) HSP90AB1PRKCINUDT1KDRGSK3B
SCHEMBL2605054 0.85 HSP90AB1 (0.59) HSP90AB1PRKCINUDT1KDRGSK3B
SCHEMBL2605056 0.84 HSP90AB1 (0.62) HSP90AB1PRKCINUDT1KDRGSK3B
SCHEMBL2605013 0.84 HSP90AB1 (0.64) HSP90AB1PRKCINUDT1KDRGSK3B

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 3/4885ADORA1 3814/4885ADORA2A 3671/4885

“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.