SCHEMBL4996084

SCHEMBL4996084

COc1cc(Br)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
MTOR P42345 3/20 0.34
IGF1R P08069 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RPS6KA2 Q15349 3/20 0.32
GAA P10253 3/20 0.31
ERN1 O75460 2/20 0.31
MAOA P21397 1/20 0.31
LRRK2 Q5S007 1/20 0.31
RPS6KA3 P51812 1/20 0.31
RAF1 P04049 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL5000426 0.87 CDC7 (0.44) CDC7PIM1PIM2MAPTMAPK1
SCHEMBL5002651 0.87 CDC7 (0.46) CDC7PIM1PIM2
SCHEMBL4991072 0.87 CDC7 (0.43) CDC7PIM1PIM2MAPTMTOR
SCHEMBL4997108 0.85 CDC7 (0.43) CDC7PIM1PIM2RPS6KA2GAA
SCHEMBL4991237 0.84 CDC7 (0.45) CDC7PIM1PIM2RPS6KA2LRRK2
SCHEMBL14188392 0.83 CDC7 (0.47) CDC7PIM1PIM2MAPK1KDM4E
SCHEMBL14188487 0.82 CDC7 (0.46) CDC7PIM1PIM2MAPTMAPK1
SCHEMBL4999698 0.82 CYP1A2 (0.47) CDC7PIM1PIM2KDM4ELMNA
SCHEMBL4996141 0.81 CDC7 (0.44) CDC7PIM1PIM2MAPK1MTOR
SCHEMBL5000407 0.81 CDC7 (0.49) CDC7PIM1PIM2MAPK1GAA

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-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 (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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CDC7 487/4885PIM1 539/4885PIM2 309/4885

“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.