SCHEMBL6120488

SCHEMBL6120488

Cc1cc2ccc3sc(Nc4cc(C(N)=O)ccc4OC(C)C)nc3c2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
DYRK1A Q13627 1/20 0.35
PARP14 Q460N5 3/20 0.34
MAPK14 Q16539 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
XIAP P98170 1/20 0.33
PARP10 Q53GL7 1/20 0.32
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32

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
Hydrochloric Acid SCHEMBL6118054 0.99 TOP2A (0.35) TOP2AMKNK2DYRK1APARP14MAPK14
SCHEMBL6126332 0.81 TOP2A (0.40) TOP2AMKNK2DYRK1APARP14MAPK14
SCHEMBL8277526 0.80 CLK1 (0.48) TOP2AMKNK2DYRK1AMEN1KMT2A
Hydrochloric Acid SCHEMBL6117990 0.80 TOP2A (0.39) TOP2AMKNK2DYRK1APARP14MAPK14
SCHEMBL8278683 0.80 XIAP (0.39) TOP2AMKNK2DYRK1APARP14MAPK14
SCHEMBL8278680 0.80 XIAP (0.39) TOP2AMKNK2DYRK1APARP14MAPK14
SCHEMBL8277563 0.80 ALK (0.35) TOP2AMKNK2DYRK1APARP14MAPK14
SCHEMBL8278499 0.79 TOP2A (0.37) TOP2AMKNK2DYRK1APARP14MAPK14
Hydrochloric Acid SCHEMBL6118094 0.79 ALK (0.35) TOP2AMKNK2DYRK1APARP14MAPK14
Hydrochloric Acid SCHEMBL6118758 0.79 TOP2A (0.37) TOP2AMKNK2DYRK1APARP14MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 TOP2A 162/4885MKNK2 2362/4885DYRK1A 4569/4885

“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.