SCHEMBL5000180

SCHEMBL5000180

CCOC(=O)C(=O)c1cccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPKAPK2 P49137 1/20 0.37
JMJD6 Q6NYC1 5/20 0.35
PARP1 P09874 2/20 0.35
GRM5 P41594 2/20 0.34
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
XPO1 O14980 1/20 0.33
PDE4B Q07343 1/20 0.33
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL4987015 0.90 CDC7 (0.44) CDC7PIM1PIM2MAPKAPK2JMJD6
SCHEMBL4996422 0.87 JMJD6 (0.42) CDC7JMJD6PDE4B
SCHEMBL5002475 0.86 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4996996 0.84 PIM1 (0.40) CDC7PIM1PIM2JMJD6PARP1
SCHEMBL4997440 0.84 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2JMJD6
SCHEMBL4997211 0.83 JMJD6 (0.44) CDC7PIM1PIM2JMJD6PARP1
SCHEMBL4997394 0.83 CDC7 (0.46) CDC7PIM1PIM2EGFR
SCHEMBL4997425 0.83 CDC7 (0.48) CDC7PIM1PIM2MAPKAPK2PDE4B
SCHEMBL4991424 0.82 CDC7 (0.46) CDC7PIM1PIM2JMJD6PARP1
SCHEMBL5002663 0.82 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2PARP1

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.