SCHEMBL2169013

SCHEMBL2169013

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 1/20 0.31
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2170615 0.83 ROCK2 (0.34) RIPK1ROCK2ROCK1CYP2C8CYP2D6
SCHEMBL2170780 0.75 ALDH1A1 (0.36) CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL2169022 0.67 NOS2 (0.37) RIPK1ROCK2ROCK1
SCHEMBL2170620 0.67 NOS2 (0.41) RIPK1ROCK2ROCK1
SCHEMBL2170749 0.62 NOS2 (0.33) ROCK1
SCHEMBL28854243 0.60 KMT2A (0.47) CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL28854244 0.60 KMT2A (0.47) CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL659350 0.60 ACACB (0.50) ROCK2ROCK1
SCHEMBL509533 0.60 NOS2 (0.42) CYP2C9
SCHEMBL2169288 0.59 CYP2C19 (0.34) ROCK2ROCK1CYP2D6CYP2C19

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 RIPK1 3015/4885ROCK2 4284/4885ROCK1 4403/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN RIPK1 3015/4885ROCK2 4284/4885ROCK1 4403/4885

“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.