SCHEMBL4996453

SCHEMBL4996453

O=C1NCCn2nc(-c3ccnc(-c4cc(Cl)c(O)c(Cl)c4)n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.51
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAPKAPK2 P49137 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMO O15229 2/20 0.33
MAPK1 P28482 1/20 0.32
COMT P21964 1/20 0.31
LRRK2 Q5S007 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
DYRK1A Q13627 1/20 0.31
PARP1 P09874 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
MAP4K4 O95819 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL4996141 0.90 CDC7 (0.44) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL14188584 0.89 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2MEN1
SCHEMBL4999856 0.89 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2KMO
SCHEMBL5000021 0.88 CDC7 (0.43) CDC7PIM1PIM2MEN1MAPT
SCHEMBL4991509 0.88 CDC7 (0.52) CDC7PIM1PIM2MAPKAPK2MEN1
SCHEMBL14188533 0.87 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2MEN1
SCHEMBL4986933 0.87 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2MEN1
SCHEMBL5002623 0.87 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2MEN1
SCHEMBL4994964 0.87 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2MEN1
SCHEMBL4991466 0.86 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2MEN1

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-20080114031-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2008-05-15 US claimed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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 (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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CDC7 487/4885PIM1 539/4885PIM2 309/4885
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 CDC7 2497/4885PIM1 2940/4885PIM2 4131/4885

“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.