SCHEMBL8528620

SCHEMBL8528620

CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.48
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 6/20 0.47
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 3/20 0.45
VCP P55072 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.43
ESR1 P03372 1/20 0.42

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
Bromide SCHEMBL6118828 0.99 CSNK2A1 (0.48) CSNK2A1ROCK2ROCK1MAPTRAB9A
SCHEMBL8740207 0.91 CSNK2A1 (0.49) CSNK2A1ROCK2ROCK1MAPTRAB9A
SCHEMBL8521768 0.90 MEN1 (0.57) CSNK2A1MAPTRAB9AMEN1KMT2A
SCHEMBL14054860 0.90 CSNK2A1 (0.49) CSNK2A1MAPTRAB9AMEN1KMT2A
Bromide SCHEMBL6117740 0.89 MEN1 (0.56) CSNK2A1MAPTRAB9AMEN1KMT2A
SCHEMBL8521250 0.88 CSNK2A1 (0.47) CSNK2A1ROCK1MAPTRAB9AMEN1
SCHEMBL8738035 0.87 MEN1 (0.45) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL6119356 0.87 CSNK2A1 (0.42) CSNK2A1ROCK2ROCK1MAPTRAB9A
SCHEMBL8533090 0.87 CSNK2A1 (0.44) CSNK2A1MAPTRAB9AMEN1KMT2A
SCHEMBL8546611 0.86 CSNK2A1 (0.48) CSNK2A1MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068210-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US 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-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, TIMP3 CSNK2A1 2619/4885ROCK2 966/4885ROCK1 714/4885

“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.