SCHEMBL10324548

SCHEMBL10324548

NC(=O)c1cc(C(=O)NC(CCO)c2ccccc2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.54
PRKACA P17612 1/20 0.54
CDK8 P49336 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
PRKX P51817 1/20 0.54
PRKCQ Q04759 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
TACR3 P29371 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ROCK2 O75116 6/20 0.47
PHGDH O43175 1/20 0.47
PAK4 O96013 1/20 0.45
GPR139 Q6DWJ6 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR3 Q99500 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL10321530 0.91 DYRK1A (0.51) KDM4EGAAGPR139CA1CA2
SCHEMBL10324393 0.90 ROCK2 (0.52) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL10322444 0.88 ROCK1 (0.54) ROCK1GSK3AGSK3BPRKCQCLK4
Hydrochloric Acid SCHEMBL10322545 0.87 RPS6KA5 (0.53) ROCK1GSK3AGSK3BPRKCQCLK4
SCHEMBL10324549 0.85 ROCK1 (0.56) ROCK1PRKACACDK8GSK3AGSK3B
SCHEMBL10322147 0.83 DYRK1A (0.51) ROCK1ROCK2DYRK1A
SCHEMBL10324846 0.83 DYRK1A (0.51) ROCK1ROCK2DYRK1A
SCHEMBL10323266 0.80 MEN1 (0.63) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL10324473 0.80 MEN1 (0.63) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL10322490 0.80 ROCK2 (0.51) ROCK1PRKACAGSK3AGSK3BCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD ROCK1 3873/4885PRKACA 3875/4885CDK8 92/4885

“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.