SCHEMBL3795696

SCHEMBL3795696

NC(=O)C1c2ccccc2-c2c(-c3cnc4[nH]ccc4c3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 12/20 0.53
CDK7 P50613 2/20 0.53
CCNT1 O60563 1/20 0.53
CCND1 P24385 1/20 0.53
CCNC P24863 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
MNAT1 P51948 1/20 0.53
CDK6 Q00534 1/20 0.53
RIPK1 Q13546 1/20 0.49
MAP4K4 O95819 2/20 0.47
CHEK2 O96017 2/20 0.47
CDK1 P06493 2/20 0.47
FES P07332 2/20 0.47
ROS1 P08922 2/20 0.47
FER P16591 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
IRAK1 P51617 2/20 0.47
ROCK1 Q13464 2/20 0.47

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
SCHEMBL3800951 0.81 MAP4K4 (0.44) MAP4K4MKNK2MAP4K5PDGFRBPDGFRA
SCHEMBL4128040 0.76 CDK8 (0.62) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL3795296 0.75 ATM (0.38) MAP4K4CHEK2ALOX5APFEN1JAK2
SCHEMBL2079662 0.74 HSP90AB1 (0.66) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL2079173 0.73 CDK8 (0.56) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL3798573 0.73 PDK2 (0.41) PKN2ALOX5APFEN1
SCHEMBL2077908 0.73 CDK8 (0.52) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL2077906 0.73 CDK8 (0.52) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL3797695 0.72 CSNK1A1 (0.58) DYRK1B
SCHEMBL4077067 0.72 CSNK1A1 (0.58) DYRK1B

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.