SCHEMBL4996340

SCHEMBL4996340

CC(C)(C)c1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
NISCH Q9Y2I1 1/20 0.37
CTRC Q99895 1/20 0.34
PTGS1 P23219 6/20 0.33
PTGS2 P35354 4/20 0.33
MAPKAPK2 P49137 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
SCHEMBL4994964 0.86 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2
SCHEMBL14188533 0.85 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2
SCHEMBL4996453 0.84 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2
SCHEMBL5000322 0.84 CDC7 (0.51) CDC7PIM1PIM2NISCHMAPKAPK2
SCHEMBL5002623 0.84 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2
SCHEMBL4995841 0.82 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2
SCHEMBL4991296 0.82 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2
SCHEMBL4993179 0.81 CDC7 (0.53) CDC7PIM1PIM2MAPKAPK2
SCHEMBL14188697 0.81 CDC7 (0.48) CDC7PIM1PIM2MAPKAPK2
SCHEMBL14188471 0.81 CDC7 (0.52) CDC7PIM1PIM2MAPKAPK2

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.