SCHEMBL2605023

SCHEMBL2605023

O=C(NC1c2ccccc2-c2c(-c3ccc4c(c3)OCCO4)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.58
PRKCI P41743 2/20 0.41
TNKS O95271 1/20 0.39
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
NUDT1 P36639 2/20 0.36
DYRK1A Q13627 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL2605040 0.91 HSP90AB1 (0.56) HSP90AB1PRKCITNKSNUDT1
SCHEMBL2605053 0.88 HSP90AB1 (0.52) HSP90AB1PRKCITNKSROCK1ROCK2
SCHEMBL2605083 0.84 HSP90AB1 (0.61) HSP90AB1PRKCITNKSNUDT1GSK3B
SCHEMBL2605020 0.83 HSP90AB1 (0.65) HSP90AB1PRKCITNKSNUDT1DYRK1A
SCHEMBL2605056 0.83 HSP90AB1 (0.62) HSP90AB1PRKCITNKSROCK1NUDT1
SCHEMBL2605025 0.83 HSP90AB1 (0.60) HSP90AB1PRKCITNKSROCK1NUDT1
SCHEMBL2605013 0.83 HSP90AB1 (0.64) HSP90AB1PRKCITNKSROCK1NUDT1
SCHEMBL2605027 0.83 HSP90AB1 (0.71) HSP90AB1PRKCITNKSROCK1NUDT1
SCHEMBL2605054 0.82 HSP90AB1 (0.59) HSP90AB1PRKCITNKSNUDT1KDR
SCHEMBL2605106 0.82 HSP90AB1 (0.66) HSP90AB1PRKCITNKSROCK1NUDT1

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 3/4885PRKCI 1311/4885TNKS 3162/4885

“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.