SCHEMBL4522786

SCHEMBL4522786

Cc1cc(O)c(I)c(=O)n1Cc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.44
BRD4 O60885 4/20 0.42
CYP2D6 P10635 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41
HDAC1 Q13547 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MAPK14 Q16539 1/20 0.40
CREBBP Q92793 1/20 0.39
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.37
EEF2K O00418 1/20 0.37
KDM4A O75164 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 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
SCHEMBL4520557 0.88 GLS (0.44) GLSBRD4CYP2D6TAS2R8HDAC1
SCHEMBL4505971 0.82 GLS (0.48) GLSBRD4CYP2D6TAS2R8HDAC1
SCHEMBL1830157 0.73 GLS (0.54) GLSBRD4HDAC1CREBBPNAMPT
SCHEMBL30732561 0.73 GLS (0.51) GLSBRD4HDAC1CREBBPNAMPT
SCHEMBL2184472 0.73 GLS (0.51) GLSBRD4HDAC1CREBBPNAMPT
SCHEMBL31608963 0.73 KMT2A (0.51) GLSBRD4CREBBPNAMPTKDM4A
SCHEMBL2787151 0.72 GLS (0.58) GLSBRD4HDAC1CREBBPNAMPT
SCHEMBL16181822 0.72 GLS (0.55) GLSBRD4HDAC1CREBBPNAMPT
SCHEMBL1165088 0.72 GLS (0.55) GLSBRD4HDAC1CREBBPNAMPT
SCHEMBL1111369 0.72 GLS (0.52) GLSBRD4HDAC1CREBBPROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 GLS 819/4885BRD4 2321/4885CYP2D6 299/4885

“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.