SCHEMBL4997028

SCHEMBL4997028

O=C1NCCn2nc(-c3ccnc(-c4c(F)cccc4F)n3)cc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.50
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
TYK2 P29597 13/20 0.36
JAK2 O60674 8/20 0.36
PARP1 P09874 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
JAK1 P23458 1/20 0.33
JAK3 P52333 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
SCHEMBL14188696 0.92 CDC7 (0.46) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188385 0.92 CDC7 (0.46) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188354 0.92 CDC7 (0.46) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188481 0.91 CDC7 (0.50) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4997294 0.91 CDC7 (0.44) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188494 0.90 CDC7 (0.43) CDC7PIM1PIM2
SCHEMBL5002400 0.90 CDC7 (0.43) CDC7PIM1PIM2TYK2JAK2
SCHEMBL14188479 0.90 CDC7 (0.49) CDC7PIM1PIM2TYK2JAK2
SCHEMBL4996901 0.89 CDC7 (0.42) CDC7PIM1PIM2TYK2JAK2
SCHEMBL4997336 0.89 CDC7 (0.48) 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.