SCHEMBL14946752

SCHEMBL14946752

CC(C)(C)c1cncc(N2CCOC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.52
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
CYP11B2 P19099 4/20 0.42
DGAT1 O75907 1/20 0.38
PIK3CA P42336 3/20 0.35
MTOR P42345 1/20 0.35
PIK3CD O00329 3/20 0.35
CYP11B1 P15538 3/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
TNKS O95271 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
IDH1 O75874 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32

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
SCHEMBL14950000 0.80 CYP11B2 (0.45) CCR6CCNCCDK8CYP11B2DGAT1
SCHEMBL9954716 0.77 CYP11B2 (0.45) CCR6CCNCCDK8CYP11B2PIK3CA
SCHEMBL11955152 0.76 DGAT1 (0.54) CCR6CCNCCDK8DGAT1PIK3CD
SCHEMBL21848976 0.75 CCR6 (0.51) CCR6CYP11B2CYP11B1
SCHEMBL15828584 0.72 CCR6 (0.48) CCR6CYP11B2CYP11B1
SCHEMBL25666672 0.71 CCR6 (0.35) CCR6CYP11B2CYP11B1
SCHEMBL17688868 0.71 DGAT1 (0.41) CCR6CCNCCDK8DGAT1PIK3CA
SCHEMBL14946762 0.71 DGAT1 (0.43) CCR6DGAT1IDH1
SCHEMBL28955572 0.70 CCR6 (1.00) CCR6
SCHEMBL20272764 0.70 DGAT1 (0.43) CCR6CCNCCDK8DGAT1PIK3CA

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-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 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 (1 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-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 CCR6 3361/4885CCNC 4044/4885CDK8 1647/4885

“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.