SCHEMBL2169022

SCHEMBL2169022

CC(C)NC(=O)C(C)(C)C(=O)C(C)(Cc1cn[nH]c1)c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
ACACB O00763 2/20 0.33
NAMPT P43490 5/20 0.32
RIPK1 Q13546 1/20 0.31
ROCK2 O75116 2/20 0.30
ROCK1 Q13464 1/20 0.30
HRH2 P25021 1/20 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
SCHEMBL2170620 0.92 NOS2 (0.41) NOS2ACACBNAMPTRIPK1ROCK2
SCHEMBL2170787 0.80 NOS2 (0.39) NOS2ACACBNAMPTHRH2
SCHEMBL2169013 0.67 RIPK1 (0.31) RIPK1ROCK2ROCK1
SCHEMBL12477383 0.61 NOS2 (0.43) NOS2NAMPTROCK2ROCK1
SCHEMBL4762505 0.60 NOS2 (0.42) NOS2NAMPT
SCHEMBL30872565 0.60 NOS2 (0.44) NOS2ACACBNAMPT
SCHEMBL20233602 0.60 NAMPT (0.48) NOS2NAMPT
SCHEMBL659350 0.60 ACACB (0.50) NOS2ACACBROCK2ROCK1
SCHEMBL8199939 0.59 ALDH1A1 (0.44) NOS2NAMPTROCK2ROCK1
SCHEMBL5907334 0.58 NOS2 (0.45) NOS2NAMPTROCK2ROCK1

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 671/4885ACACB 2471/4885NAMPT 794/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN NOS2 671/4885ACACB 2471/4885NAMPT 794/4885

“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.