SCHEMBL3795698

SCHEMBL3795698

NC(=O)c1ccc(-c2cnc3[nH]ccc3c2)c2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.49
CDK7 P50613 2/20 0.49
CCNT1 O60563 1/20 0.49
CCND1 P24385 1/20 0.49
CCNC P24863 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
CDK6 Q00534 1/20 0.49
RIPK1 Q13546 1/20 0.48
ALOX5AP P20292 5/20 0.47
FEN1 P39748 5/20 0.47
HSP90AA1 P07900 2/20 0.46
AXL P30530 1/20 0.43
PLK4 O00444 1/20 0.42
DCLK1 O15075 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42

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
SCHEMBL3795700 0.84 AXL (0.48) CDK8RIPK1ALOX5APFEN1AXL
SCHEMBL3802177 0.83 HSP90AA1 (0.46) HSP90AA1PARP10PARP11
SCHEMBL4128040 0.80 CDK8 (0.62) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL3791964 0.72 ALDH1A1 (0.39) ALOX5APFEN1HSP90AA1
SCHEMBL29479416 0.71 CDK8 (0.61) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL945016 0.71 CDK8 (0.60) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL3795696 0.70 CDK8 (0.53) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL16158037 0.70 RIPK1 (0.57) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL858203 0.68 CDK8 (0.64) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL12127568 0.68 CDK8 (0.64) CDK8CDK7CCNT1CCND1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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 3435/4885CDK7 3468/4885CCNT1 2009/4885

“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.