SCHEMBL4994749

SCHEMBL4994749

O=C(O)c1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
PARP1 P09874 4/20 0.36
KDM4C Q9H3R0 1/20 0.36
GRM5 P41594 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ADORA2B P29275 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RPS6KA3 P51812 2/20 0.33
RPS6KA2 Q15349 2/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4993809 0.92 CDC7 (0.45) CDC7PIM1PIM2PARP1KDM4C
SCHEMBL4995748 0.91 CDC7 (0.44) CDC7PIM1PIM2PARP1KDM4C
SCHEMBL4991863 0.91 CDC7 (0.46) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4993799 0.89 CDC7 (0.43) CDC7PIM1PIM2PARP1KDM4C
SCHEMBL14188637 0.88 CDC7 (0.43) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4993289 0.88 CDC7 (0.43) CDC7PIM1PIM2PARP1GRM5
SCHEMBL5002276 0.87 CDC7 (0.42) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4996165 0.87 CDC7 (0.44) CDC7PIM1PIM2KDM4C
SCHEMBL4999891 0.86 CDC7 (0.42) CDC7PIM1PIM2PARP1NPC1
SCHEMBL4994550 0.86 CDC7 (0.52) CDC7PIM1PIM2PARP1

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.