SCHEMBL5777622

SCHEMBL5777622

O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.41
CDK6 Q00534 3/20 0.41
GSK3B P49841 3/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
PDE11A Q9HCR9 1/20 0.38
DYRK1A Q13627 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
AOC3 Q16853 2/20 0.36
REN P00797 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
LATS1 O95835 1/20 0.35

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
SCHEMBL8362929 0.78 PIK3CA (0.44) CDK4CDK6GSK3BCCND1CCND2
SCHEMBL5872050 0.77 GAA (0.44) CDK4GSK3BCCND1CCND2CCND3
SCHEMBL8287197 0.77 EGFR (0.43) CDK4GSK3BCCND1CCND2CCND3
SCHEMBL5871843 0.77 MAT2A (0.40) CDK4GSK3BCCND1CCND2CCND3
SCHEMBL8285278 0.76 MAPK1 (0.38) CDK4GSK3BCCND1CCND2CCND3
SCHEMBL8287560 0.76 EGFR (0.37) CDK4GSK3BCCND1CCND2CCND3
SCHEMBL8285286 0.76 GRM5 (0.36) CDK4CDK6GSK3BCCND1CCND2
SCHEMBL8287246 0.75 GAA (0.39) CDK4GSK3BCCND1CCND2CCND3
SCHEMBL8287196 0.75 GSK3B (0.37) CDK4CDK6GSK3BCCND1CCND2
SCHEMBL8287593 0.75 GSK3B (0.37) CDK4GSK3BCCND1CCND2CCND3

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
EP-1513840-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF DIABETES AND DIABETES-RELATED DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-10-04 EP disclosed
US-20060009483-A1 Compounds and compositions for the treatment of diabetes and diabetes-related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-12 US disclosed
EP-1513840-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF DIABETES AND DIABETES-RELATED DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-03-16 EP disclosed
WO-2003101988-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF DIABETES AND DIABETES-RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-12-11 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 (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-20060009483-A1 Compounds and compositions for the treatment of diabetes and diabetes-related disorders IAPP, GPR119, PNLIP CDK4 1095/4885CDK6 1002/4885GSK3B 857/4885

“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.