SCHEMBL10324549

SCHEMBL10324549

Nc1cc(C(=O)NC(CCO)c2ccccc2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.56
PRKACA P17612 1/20 0.56
CDK8 P49336 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
PRKX P51817 1/20 0.56
PRKCQ Q04759 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ROCK2 O75116 2/20 0.48
F10 P00742 1/20 0.48
PHGDH O43175 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
PAK4 O96013 1/20 0.46
TACR3 P29371 1/20 0.46
S1PR2 O95136 1/20 0.46

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
SCHEMBL10321531 0.90 DYRK1A (0.51) KDM4EGAALMNASMN1; SMN2F10
SCHEMBL10324394 0.90 MAPK1 (0.54) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL10322445 0.87 ROCK1 (0.56) ROCK1GSK3AGSK3BPRKCQCLK4
Hydrochloric Acid SCHEMBL10322546 0.86 RPS6KA5 (0.55) ROCK1GSK3AGSK3BPRKCQCLK4
SCHEMBL10324548 0.85 ROCK1 (0.54) ROCK1PRKACACDK8GSK3AGSK3B
SCHEMBL10324847 0.82 DYRK1A (0.51) ROCK1KDM4EGAALMNASMN1; SMN2
SCHEMBL10322148 0.82 DYRK1A (0.51) ROCK1KDM4EGAALMNASMN1; SMN2
SCHEMBL27791608 0.79 ROCK1 (0.72) ROCK1PRKACACDK8GSK3AGSK3B
SCHEMBL10323215 0.79 MEN1 (0.66) ROCK1PRKACAGSK3AGSK3BPRKX
SCHEMBL10324474 0.79 MEN1 (0.66) ROCK1PRKACAGSK3AGSK3BPRKX

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.