SCHEMBL4993790

SCHEMBL4993790

COC(=O)c1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PARP1 P09874 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RPS6KA2 Q15349 2/20 0.33
MEN1 O00255 1/20 0.33
PRNP P04156 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
CFTR P13569 2/20 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
SCHEMBL5002709 0.87 CDC7 (0.48) CDC7PIM1PIM2JMJD6KDM4E
SCHEMBL4997169 0.86 CDC7 (0.47) CDC7PIM1PIM2JMJD6KDM4E
SCHEMBL5000113 0.85 CDC7 (0.46) CDC7CFTR
SCHEMBL14188471 0.85 CDC7 (0.52) CDC7PIM1PIM2KDM4EMEN1
SCHEMBL4997114 0.83 CDC7 (0.46) CDC7PIM1PIM2MEN1KMT2A
SCHEMBL4993289 0.83 CDC7 (0.43) CDC7PIM1PIM2PARP1JMJD6
SCHEMBL14188584 0.82 CDC7 (0.49) CDC7PIM1PIM2PARP1MEN1
SCHEMBL14188532 0.82 CDC7 (0.49) CDC7PIM1PIM2KDM4EMEN1
SCHEMBL14188514 0.82 CDC7 (0.49) CDC7PIM1PIM2PARP1KDM4E
SCHEMBL14188476 0.82 CDC7 (0.49) CDC7PIM1PIM2KDM4EMEN1

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.