SCHEMBL6120135

SCHEMBL6120135

CC(C)Oc1ccc(C(N)=O)cc1Nc1nc2c(ccc3ncccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 5/20 0.40
DYRK1A Q13627 1/20 0.39
XIAP P98170 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
ALK Q9UM73 3/20 0.37
ROCK2 O75116 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL8277670 0.85 TNIK (0.39) TNIKDYRK1AXIAPMAPTMEN1
SCHEMBL8278680 0.83 XIAP (0.39) TNIKDYRK1AXIAPALKMKNK2
SCHEMBL8278683 0.83 XIAP (0.39) TNIKDYRK1AXIAPMKNK2
SCHEMBL8278407 0.81 DYRK1A (0.40) DYRK1AMAPTMEN1NPC1ALDH1A1
SCHEMBL8277526 0.81 CLK1 (0.48) DYRK1AMAPTMEN1NPC1ALDH1A1
SCHEMBL8278499 0.80 TOP2A (0.37) DYRK1AMKNK2PIK3CGCAMKK2
Hydrochloric Acid SCHEMBL6118758 0.80 TOP2A (0.37) DYRK1AMKNK2PIK3CGCAMKK2
SCHEMBL8278500 0.79 SYK (0.36) DYRK1AXIAPALKMKNK2
SCHEMBL8277579 0.79 DYRK1A (0.36) DYRK1AMAPTMEN1NPC1ALDH1A1
SCHEMBL8278493 0.79 LCK (0.35) DYRK1AALKMKNK2

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 TNIK 1762/4885DYRK1A 4569/4885XIAP 965/4885

“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.