SCHEMBL2169288

SCHEMBL2169288

NC(=O)CC(c1cn[nH]c1)c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
NOS2 P35228 1/20 0.34
DCAF1 Q9Y4B6 5/20 0.33
ROCK1 Q13464 3/20 0.33
MYLK4 Q86YV6 2/20 0.33
HRH2 P25021 1/20 0.33
RAB9A P51151 1/20 0.33
PNP P00491 1/20 0.33
AKT2 P31751 1/20 0.33
ROCK2 O75116 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2169327 0.83 ALDH1A1 (0.41) CYP2C19RAB9ACYP1A2NPSR1LMNA
SCHEMBL2170749 0.77 NOS2 (0.33) NOS2ROCK1MYLK4
SCHEMBL15742821 0.70 HRH2 (0.43) CYP2C19NOS2DCAF1ROCK1MYLK4
SCHEMBL2169318 0.67 ALDH1A1 (0.43) CYP2C19ROCK1MYLK4RAB9AROCK2
SCHEMBL6055220 0.66 MEN1 (0.43) ROCK1MYLK4HRH2AKT2ROCK2
SCHEMBL9326757 0.66 MEN1 (0.43) ROCK1MYLK4HRH2AKT2ROCK2
SCHEMBL5015440 0.65 CYP2C19 (0.41) CYP2C19DCAF1HRH2RAB9APNP
SCHEMBL2170615 0.64 ROCK2 (0.34) CYP2C19NOS2ROCK1ROCK2CYP2D6
SCHEMBL2583496 0.64 NOS2 (0.45) NOS2ROCK1HRH2ROCK2LMNA
SCHEMBL30954596 0.64 NOS2 (0.41) NOS2ROCK1MYLK4HRH2

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-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 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 (2 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CYP2C19 82/4885NOS2 671/4885DCAF1 914/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CYP2C19 82/4885NOS2 671/4885DCAF1 914/4885

“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.