SCHEMBL5002276

SCHEMBL5002276

O=C(c1ccccc1Br)c1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.42
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 3/20 0.34
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM5 P41594 2/20 0.31
RPS6KA3 P51812 2/20 0.31
RPS6KA2 Q15349 1/20 0.31
MAPKAPK2 P49137 2/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL4999891 0.90 CDC7 (0.42) CDC7PIM1PIM2NPSR1PARP1
SCHEMBL4993809 0.89 CDC7 (0.45) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4997271 0.88 CDC7 (0.40) CDC7PIM1PIM2MAPTPARP1
SCHEMBL5002646 0.88 CDC7 (0.49) CDC7PIM1PIM2PARP1ALDH1A1
SCHEMBL4997324 0.88 CDC7 (0.44) CDC7PIM1PIM2MAPTNPSR1
SCHEMBL4994749 0.87 CDC7 (0.46) CDC7PIM1PIM2PARP1L3MBTL1
SCHEMBL4991863 0.86 CDC7 (0.46) CDC7PIM1PIM2PARP1GRM5
SCHEMBL4995051 0.86 CDC7 (0.40) CDC7PIM1PIM2HCRTR1HCRTR2
SCHEMBL4995748 0.84 CDC7 (0.44) CDC7PIM1PIM2PARP1MEN1
SCHEMBL14188637 0.83 CDC7 (0.43) CDC7PIM1PIM2PARP1HCRTR1

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.