SCHEMBL5530933

SCHEMBL5530933

COc1cccc([C@@H](C)NC(=O)C2CCC(Nc3nc(N(C)C)c4cc(F)c(F)cc4n3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ROCK2 O75116 5/20 0.51
PRKG1 Q13976 4/20 0.51
MCHR1 Q99705 12/20 0.47
ADRA2A P08913 10/20 0.47
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
NPY5R Q15761 1/20 0.46
ACACB O00763 1/20 0.39

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
SCHEMBL5530931 1.00 POLB (0.53) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL5529138 0.90 MCHR1 (0.60) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL5529141 0.90 MCHR1 (0.60) POLBROCK2PRKG1MCHR1ADRA2A
SCHEMBL5534547 0.85 MCHR1 (0.47) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5534548 0.85 MCHR1 (0.47) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5533087 0.84 POLB (0.47) POLBMCHR1ADRA2AHTR1AADRA1A
SCHEMBL5533092 0.84 POLB (0.47) POLBMCHR1ADRA2AHTR1AADRA1A
SCHEMBL5524915 0.83 MCHR1 (0.50) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5524920 0.83 MCHR1 (0.50) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5522759 0.83 MCHR1 (0.40) POLBROCK2PRKG1MCHR1ADRA2A

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US claimed
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 POLB 4518/4885ROCK2 1013/4885PRKG1 1588/4885

“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.