SCHEMBL4994146

SCHEMBL4994146

CC(C)Oc1cccc(OCC(F)(F)F)c1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
LRRK2 Q5S007 1/20 0.35
SLC5A1 P13866 5/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
BRS3 P32247 1/20 0.34
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
SIK2 Q9H0K1 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CG P48736 1/20 0.31
PLK1 P53350 1/20 0.31
RORC P51449 1/20 0.31
CYP3A4 P08684 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
SCHEMBL4990587 0.93 CDC7 (0.44) CDC7PIM1PIM2SLC5A1ADRA1D
SCHEMBL4996386 0.90 CDC7 (0.40) CDC7PIM1PIM2LRRK2SLC5A1
SCHEMBL5002923 0.90 CDC7 (0.40) CDC7PIM1PIM2SLC5A1BRS3
SCHEMBL5000513 0.88 CDC7 (0.41) CDC7PIM1PIM2SLC5A1BRS3
SCHEMBL14188646 0.84 CDC7 (0.45) CDC7PIM1PIM2LRRK2ADRA1D
SCHEMBL4997293 0.81 CDC7 (0.40) CDC7PIM1PIM2LRRK2PLK1
SCHEMBL14188363 0.81 CDC7 (0.47) CDC7PIM1PIM2LRRK2HTR2A
SCHEMBL14188551 0.79 CDC7 (0.47) CDC7PIM1PIM2LRRK2HTR2A
SCHEMBL14188494 0.77 CDC7 (0.43) CDC7PIM1PIM2
SCHEMBL4993334 0.77 CDC7 (0.40) CDC7PIM1PIM2

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.