SCHEMBL4999891

SCHEMBL4999891

O=C(c1ccc(Br)cc1)c1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PARP1 P09874 2/20 0.36
AKR1C3 P42330 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
RPS6KA2 Q15349 3/20 0.33
RPS6KA3 P51812 2/20 0.32
GSK3B P49841 1/20 0.32
F2 P00734 1/20 0.31
F12 P00748 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
SCHEMBL4993809 0.92 CDC7 (0.45) CDC7PIM1PIM2PARP1RPS6KA2
SCHEMBL4997271 0.91 CDC7 (0.40) CDC7PIM1PIM2PARP1MEN1
SCHEMBL5002276 0.90 CDC7 (0.42) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4991821 0.88 CYP11B1 (0.41) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4994749 0.86 CDC7 (0.46) CDC7PIM1PIM2PARP1L3MBTL1
SCHEMBL4994640 0.85 CDC7 (0.48) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4991863 0.85 CDC7 (0.46) CDC7PIM1PIM2PARP1RPS6KA2
SCHEMBL5002154 0.85 CDC7 (0.48) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4997324 0.85 CDC7 (0.44) CDC7PIM1PIM2PARP1MEN1
SCHEMBL4995748 0.83 CDC7 (0.44) CDC7PIM1PIM2PARP1MEN1

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.