SCHEMBL4991424

SCHEMBL4991424

CCOC(=O)c1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
JMJD6 Q6NYC1 3/20 0.42
PARP1 P09874 1/20 0.42
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
SLC11A2 P49281 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 1/20 0.39
PIM1 P11309 2/20 0.38
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL5000506 0.99 CDC7 (0.45) CDC7JMJD6PARP1PDGFRBPDGFRA
SCHEMBL4996422 0.91 JMJD6 (0.42) CDC7JMJD6PDE4B
SCHEMBL4987015 0.90 CDC7 (0.44) CDC7JMJD6PARP1NPC1SMN1; SMN2
SCHEMBL5002709 0.89 CDC7 (0.48) CDC7JMJD6NPC1SMN1; SMN2PIK3CA
SCHEMBL4997169 0.88 CDC7 (0.47) CDC7JMJD6NPC1SMN1; SMN2PIK3CA
SCHEMBL4997289 0.86 CDC7 (0.49) CDC7NPC1PIM1RAB9APIM2
SCHEMBL4997280 0.86 CDC7 (0.51) CDC7PARP1SMN1; SMN2PIM1MAPK1
SCHEMBL14188623 0.85 CDC7 (0.50) CDC7PARP1SMN1; SMN2PIM1MAPK1
SCHEMBL4991763 0.84 CDC7 (0.52) CDC7JMJD6PIM1MAP4K4MAPK8
SCHEMBL4991820 0.84 MAPT (0.43) MAPK1RAB9APDE4BKMT2AADORA2A

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 487/4885JMJD6 2625/4885PARP1 2435/4885

“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.