SCHEMBL3798573

SCHEMBL3798573

NC(=O)C1c2ccccc2-c2c(-c3cncnc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.37
AR P10275 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL3795296 0.80 ATM (0.38) ATMLMNAHDAC8HDAC3HDAC4
SCHEMBL3798577 0.77 PDK2 (0.42) PDK2ATMADORA1ADRA1DADRA1A
SCHEMBL3800951 0.77 MAP4K4 (0.44)
SCHEMBL2313612 0.76 HSP90AB1 (0.46) ATMHDAC8HDAC3HDAC4HDAC7
SCHEMBL3143561 0.74 ATM (0.61) ATMLMNAHDAC8HDAC3HDAC4
SCHEMBL30250175 0.74 ATM (0.61) ATMLMNAHDAC8HDAC3HDAC4
SCHEMBL27776596 0.74 PDK2 (0.40) PDK2ATMADORA1ADRA1DADRA1A
SCHEMBL3791962 0.73 HSP90AA1 (0.42) ATMLMNAALDH1A1HSP90AB1
SCHEMBL3795696 0.73 CDK8 (0.53) PKN2ALOX5APFEN1
SCHEMBL2312510 0.72 ATM (0.44) ATMLMNAHDAC8HDAC3HDAC4

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 PDK2 3086/4885ATM 3750/4885LMNA 2105/4885

“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.