SCHEMBL5000513

SCHEMBL5000513

O=C1NCCn2nc(-c3ccnc(-c4c(F)cccc4OCC(F)(F)F)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.41
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
SLC5A1 P13866 2/20 0.33
NTRK1 P04629 1/20 0.33
BRS3 P32247 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SCN9A Q15858 1/20 0.32
RORC P51449 1/20 0.32
MAP4K1 Q92918 2/20 0.32
PARP1 P09874 1/20 0.32
GRM5 P41594 1/20 0.32
JAK2 O60674 1/20 0.31
TYK2 P29597 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 0.94 CDC7 (0.44) CDC7PIM1PIM2HDAC1HDAC6
SCHEMBL4996386 0.90 CDC7 (0.40) CDC7PIM1PIM2HDAC1HDAC6
SCHEMBL5002923 0.90 CDC7 (0.40) CDC7PIM1PIM2HDAC1HDAC6
SCHEMBL14188494 0.88 CDC7 (0.43) CDC7PIM1PIM2NTRK1MAP4K1
SCHEMBL4994146 0.88 CDC7 (0.39) CDC7PIM1PIM2SLC5A1BRS3
SCHEMBL4997028 0.87 CDC7 (0.50) CDC7PIM1PIM2PARP1JAK2
SCHEMBL4997294 0.87 CDC7 (0.44) CDC7PIM1PIM2PARP1JAK2
SCHEMBL14188521 0.86 FFAR4 (0.38) CDC7PIM1PIM2BRS3SCN9A
SCHEMBL4996558 0.85 CDC7 (0.41) CDC7PIM1PIM2NTRK1SCN9A
SCHEMBL14188549 0.85 CDC7 (0.41) CDC7PIM1PIM2NTRK1BRS3

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.