SCHEMBL5530309

SCHEMBL5530309

CC(C)c1nc(NC2CCC(OC(=O)C(F)(F)F)(C(=O)NCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
CCR2 P41597 3/20 0.41
EPHX2 P34913 6/20 0.40
CTNNB1 P35222 4/20 0.39
TCF7L2 Q9NQB0 4/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
WHR1 P49842 1/20 0.39
NPY5R Q15761 1/20 0.36
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36

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
SCHEMBL4201687 0.92 ADRA2A (0.40) APPBCHEACHECCR2KDM4E
Trifluoroacetic Acid SCHEMBL5530304 0.79 EPHX2 (0.57) APPBCHEACHEEPHX2CTNNB1
SCHEMBL5524385 0.75 MCHR1 (0.42) NPY5R
SCHEMBL5521145 0.73 MCHR1 (0.45) NPY5R
SCHEMBL5528028 0.73 MCHR1 (0.48) NPY5R
SCHEMBL5532977 0.73 MCHR1 (0.46) NPY5R
Trifluoroacetic Acid SCHEMBL4201680 0.72 EPHX2 (0.49) APPBCHEACHEEPHX2NPY5R
SCHEMBL5528648 0.71 WHR1 (0.50) APPBCHEACHEEPHX2WHR1
SCHEMBL4217522 0.69 EPHX2 (0.51) APPBCHEACHEEPHX2NPY5R
SCHEMBL4217529 0.69 EPHX2 (0.51) APPBCHEACHEEPHX2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 APP 1090/4885BCHE 168/4885ACHE 226/4885

“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.