SCHEMBL5000322

SCHEMBL5000322

CC(C)(C)c1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.51
MAPKAPK2 P49137 3/20 0.47
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
PRKCI P41743 2/20 0.37
MGLL Q99685 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.33
HTR1D P28221 1/20 0.33
ADRA1A P35348 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.33
PRNP P04156 1/20 0.33
POLB P06746 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
SCHEMBL14188520 0.89 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2SMN1; SMN2
SCHEMBL4996834 0.87 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2NPC1
SCHEMBL4996164 0.86 CDC7 (0.47) CDC7MAPKAPK2PIM1PIM2GAA
SCHEMBL14188452 0.85 CDC7 (0.52) CDC7MAPKAPK2PIM1PIM2ABL1
SCHEMBL4991854 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2NPC1
SCHEMBL4995841 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2MGLL
SCHEMBL4991458 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2KDM4E
SCHEMBL4996811 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2NPC1
SCHEMBL4999721 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2NPC1
SCHEMBL4991016 0.85 CDC7 (0.54) CDC7MAPKAPK2PIM1PIM2NPC1

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 487/4885MAPKAPK2 2/4885PIM1 539/4885

“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.