SCHEMBL3798577

SCHEMBL3798577

NC1c2ccccc2-c2c(-c3cncnc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.42
ATM Q13315 1/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
ADORA1 P30542 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTR2A P28223 1/20 0.32
CYP2A6 P11509 1/20 0.32
BACE1 P56817 3/20 0.31
KCNH2 Q12809 3/20 0.31
HTR7 P34969 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL9847771 0.80 ALDH1A1 (0.40) HTR2ACYP2A6HTR7HTR2B
SCHEMBL3798573 0.77 PDK2 (0.41) PDK2ATMADRA1AADRA1DADORA1
SCHEMBL27776596 0.76 PDK2 (0.40) PDK2ATMADRA1AADRA1DADORA1
SCHEMBL3795301 0.75 CYP2A6 (0.38) PDK2ALOX5APFEN1CYP2A6
SCHEMBL28778886 0.73 PDK2 (0.43) PDK2ATMADRA1AADRA1DADORA1
SCHEMBL3800957 0.73 BIRC5 (0.44) CYP2A6
SCHEMBL2309814 0.72 HSP90AB1 (0.41)
SCHEMBL2309822 0.72 HSP90AB1 (0.41)
SCHEMBL15366509 0.71 ADORA2A (0.44) PDK2HTR2AHTR7HTR2B
SCHEMBL2605016 0.69 KDM1A (0.41) PDK2HTR2AHTR7HTR2B

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 3750/4885ADRA1A 2819/4885

“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.