SCHEMBL2170615

SCHEMBL2170615

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACACB O00763 1/20 0.32
RIPK1 Q13546 1/20 0.32
ROCK1 Q13464 8/20 0.32
NOS2 P35228 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
MAPK8 P45983 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
SCHEMBL2170780 0.86 ALDH1A1 (0.36) CYP2C8CYP2D6CYP2C9CYP2C19NOS2
SCHEMBL2169013 0.83 RIPK1 (0.31) ROCK2CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL2170749 0.67 NOS2 (0.33) ROCK1NOS2
SCHEMBL659350 0.65 ACACB (0.50) ROCK2ACACBROCK1NOS2
SCHEMBL2169288 0.64 CYP2C19 (0.34) ROCK2CYP2D6CYP2C19ROCK1NOS2
SCHEMBL509533 0.62 NOS2 (0.42) CYP2C9NOS2
SCHEMBL2170620 0.62 NOS2 (0.41) ROCK2ACACBRIPK1ROCK1NOS2
SCHEMBL18343348 0.61 SMN1; SMN2 (0.48) MAPK8
SCHEMBL6671851 0.61 AKT1 (0.45) ROCK2CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL9911465 0.61 P2RX7 (0.54) RIPK1

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 ROCK2 4284/4885CYP2C8 472/4885CYP2D6 233/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN ROCK2 4284/4885CYP2C8 472/4885CYP2D6 233/4885

“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.