SCHEMBL1335501

SCHEMBL1335501

O=C(O)NC(CCO)Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.47
ROCK2 O75116 5/20 0.47
PRKACA P17612 4/20 0.47
PRKX P51817 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
MAPK1 P28482 4/20 0.47
PRKG1 Q13976 3/20 0.47
GSK3B P49841 3/20 0.47
IRAK1 P51617 2/20 0.47
PKN2 Q16513 2/20 0.47
GSK3A P49840 2/20 0.47
RPS6KA5 O75582 2/20 0.47
RPS6KA4 O75676 2/20 0.47
SGK2 Q9HBY8 1/20 0.47
LIMK1 P53667 2/20 0.42
RPS6KB1 P23443 1/20 0.42
PRKG2 Q13237 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
AURKB Q96GD4 1/20 0.42
CSNK1G1 Q9HCP0 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
Hydrochloric Acid SCHEMBL1335713 0.98 ROCK1 (0.46) ROCK1ROCK2PRKACAPRKXCLK4
SCHEMBL6192681 0.87 ROCK2 (0.59) ROCK1ROCK2PRKACAPRKXCLK4
SCHEMBL16009906 0.85 CYP3A4 (0.51) ROCK1ROCK2PRKACAPRKXCLK4
SCHEMBL3461327 0.81 ACACB (0.41) MAPK1CYP3A4MME
SCHEMBL1520114 0.81 MME (0.48) ROCK1ROCK2PRKACAPRKXCLK4
SCHEMBL5469880 0.80 FFAR2 (0.46) MMEFFAR2
SCHEMBL1519730 0.80 FFAR2 (0.46) MMEFFAR2
SCHEMBL21144973 0.77 MMP12 (0.42) MME
SCHEMBL21144971 0.77 MMP12 (0.42) MME
SCHEMBL3222270 0.76 GSK3B (0.44) ROCK1ROCK2PRKACAPRKXCLK4

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
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP 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-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics GPR119, GLP1R, ADIPOR1 ROCK1 3450/4885ROCK2 3100/4885PRKACA 3901/4885

“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.