SCHEMBL4170674

SCHEMBL4170674

Cc1ccc2c(C3=CCN(C(=O)OC(C)(C)C)CC3)cccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.59
HTR6 P50406 1/20 0.52
GRM1 Q13255 9/20 0.51
GRM5 P41594 8/20 0.51
JAK1 P23458 1/20 0.49
PDE10A Q9Y233 2/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46

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
SCHEMBL6527124 0.86 LMNA (0.47) PDK4
SCHEMBL4180939 0.85 JAK1 (0.51) PDK4HTR6GRM1GRM5JAK1
SCHEMBL19297054 0.84 PDK4 (0.60) PDK4HTR6GRM1GRM5JAK1
SCHEMBL19284633 0.83 PDK4 (0.61) PDK4HTR6GRM1GRM5JAK1
SCHEMBL19284578 0.82 PDK4 (0.65) PDK4HTR6GRM1GRM5JAK1
SCHEMBL6847847 0.82 PDK4 (0.69) PDK4HTR6GRM1GRM5JAK1
SCHEMBL19297244 0.81 PDK4 (0.58) PDK4HTR6GRM1GRM5JAK1
SCHEMBL10212116 0.80 SSTR4 (0.39) PDK4GRM1GRM5JAK1PDE10A
SCHEMBL16544582 0.80 GRM5 (0.59) PDK4HTR6GRM1GRM5NAMPT
SCHEMBL31180227 0.80 PDK4 (0.53) PDK4HTR6GRM1GRM5JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX PDK4 342/4885HTR6 101/4885GRM1 440/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX PDK4 386/4885HTR6 406/4885GRM1 690/4885

“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.