SCHEMBL5000455

SCHEMBL5000455

O=C1NCCn2nc(-c3ccnc(-c4cc(F)cc(F)c4)n3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.54
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPKAPK2 P49137 4/20 0.36
PARP1 P09874 2/20 0.34
IKBKB O14920 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPY5R Q15761 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 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
SCHEMBL14188667 0.92 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188676 0.92 CDC7 (0.49) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4997095 0.91 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4997156 0.90 CDC7 (0.47) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4994530 0.90 CDC7 (0.51) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188557 0.89 CDC7 (0.53) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4994514 0.87 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL14188481 0.87 CDC7 (0.50) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4991035 0.86 CDC7 (0.52) CDC7PIM1PIM2MAPKAPK2PARP1
SCHEMBL4999667 0.86 CDC7 (0.54) CDC7PIM1PIM2MAPKAPK2PARP1

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.