SCHEMBL4994550

SCHEMBL4994550

O=C1NCCn2nc(-c3ccnc(-c4ccccc4-c4ccccc4)n3)cc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.52
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
PARP1 P09874 9/20 0.42
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MAPKAPK2 P49137 2/20 0.34
PDE4B Q07343 1/20 0.34
CDK1 P06493 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL5002764 0.91 CDC7 (0.48) CDC7PIM1PIM2PARP1PDCD1
SCHEMBL5002154 0.91 CDC7 (0.48) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4990601 0.91 CDC7 (0.56) CDC7PIM1PIM2PARP1PDE4B
SCHEMBL14188593 0.89 CDC7 (0.46) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4992121 0.89 CDC7 (0.48) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4991016 0.88 CDC7 (0.54) CDC7PIM1PIM2PARP1PARP10
Hydrochloric Acid SCHEMBL5002631 0.88 CDC7 (0.45) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4994895 0.87 CDC7 (0.56) CDC7PIM1PIM2PARP1PDE4B
SCHEMBL5002646 0.86 CDC7 (0.49) CDC7PIM1PIM2PARP1PARP10
SCHEMBL4997121 0.86 CDC7 (0.49) CDC7PIM1PIM2PARP1MAPKAPK2

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.