SCHEMBL2170749

SCHEMBL2170749

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ROCK1 Q13464 2/20 0.30
MYLK4 Q86YV6 2/20 0.30

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
SCHEMBL2169318 0.82 ALDH1A1 (0.43) ALDH1A1ROCK1MYLK4
SCHEMBL6055220 0.79 MEN1 (0.43) ALDH1A1ROCK1MYLK4
SCHEMBL9326757 0.79 MEN1 (0.43) ALDH1A1ROCK1MYLK4
SCHEMBL2169288 0.77 CYP2C19 (0.34) NOS2ROCK1MYLK4
SCHEMBL2583496 0.70 NOS2 (0.45) NOS2ROCK1
SCHEMBL1560439 0.68 AKT2 (0.41) ROCK1MYLK4
SCHEMBL2170615 0.67 ROCK2 (0.34) NOS2ROCK1
SCHEMBL2169327 0.67 ALDH1A1 (0.41) ALDH1A1
SCHEMBL30954596 0.67 NOS2 (0.41) NOS2ALDH1A1ROCK1MYLK4
SCHEMBL2170780 0.66 ALDH1A1 (0.36) NOS2ALDH1A1

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 NOS2 671/4885ALDH1A1 516/4885PIM1 170/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN NOS2 671/4885ALDH1A1 516/4885PIM1 170/4885

“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.