SCHEMBL5002969

SCHEMBL5002969

O=C1NCCn2nc(-c3ccnc(-c4cc(F)ccc4F)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.48
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PARP1 P09874 3/20 0.36
PARP10 Q53GL7 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
FAAH O00519 1/20 0.34
FABP6 P51161 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
LRRK2 Q5S007 1/20 0.33
TDO2 P48775 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
KMO O15229 1/20 0.32
NTRK1 P04629 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL4996436 0.91 CDC7 (0.48) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188576 0.90 CDC7 (0.47) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188512 0.90 CDC7 (0.47) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188671 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188408 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188661 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188563 0.89 CDC7 (0.46) CDC7PIM1PIM2MAPKAPK2LRRK2
SCHEMBL14188566 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188486 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1PARP10
SCHEMBL14188469 0.89 CDC7 (0.50) CDC7PIM1PIM2PARP1PARP10

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.