SCHEMBL2077906

SCHEMBL2077906

O/N=C1\c2ccccc2-c2c1cccc2-c1cnc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.52
AXL P30530 1/20 0.52
RIPK1 Q13546 2/20 0.47
NUDT1 P36639 1/20 0.47
CDK7 P50613 2/20 0.46
CCNT1 O60563 1/20 0.46
CCND1 P24385 1/20 0.46
CCNC P24863 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK6 Q00534 1/20 0.46
PLK4 O00444 1/20 0.46
DCLK1 O15075 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
INSR P06213 1/20 0.46

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
SCHEMBL2077908 1.00 CDK8 (0.52) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL2079173 0.81 CDK8 (0.56) CDK8AXLNUDT1CDK7CCNT1
SCHEMBL31064990 0.76 CDK8 (0.64) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL858203 0.76 CDK8 (0.64) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL4850969 0.74 NUDT1 (0.62) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL3795696 0.73 CDK8 (0.53) CDK8AXLRIPK1CDK7CCNT1
SCHEMBL12127568 0.73 CDK8 (0.64) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL858328 0.73 CDK8 (0.64) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL30399451 0.73 CDK8 (0.64) CDK8AXLRIPK1NUDT1CDK7
SCHEMBL858609 0.73 AXL (0.64) CDK8AXLRIPK1NUDT1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP 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

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 CDK8 3435/4885AXL 3351/4885RIPK1 3042/4885

“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.