SCHEMBL4994530

SCHEMBL4994530

O=C1NCCn2nc(-c3ccnc(-c4cccc(F)c4)n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.51
MAPKAPK2 P49137 3/20 0.47
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KMO O15229 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
KDM5B Q9UGL1 2/20 0.37
PARP1 P09874 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
FAAH O00519 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
RPS6KA3 P51812 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
GSK3B P49841 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
SCHEMBL5000455 0.90 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2PARP10
SCHEMBL4991294 0.88 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2PARP10
SCHEMBL4997095 0.87 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2KDM5B
SCHEMBL4990601 0.87 CDC7 (0.56) CDC7PIM1PIM2PARP1
SCHEMBL4991274 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2KDM5B
SCHEMBL5002663 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4994437 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL5000066 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2KMO
SCHEMBL4987038 0.87 CDC7 (0.51) CDC7MAPKAPK2PIM1PIM2PARP1
SCHEMBL14188451 0.86 MAPKAPK2 (0.49) CDC7MAPKAPK2PIM1PIM2KMO

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 487/4885MAPKAPK2 2/4885PIM1 539/4885

“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.