SCHEMBL5000434

SCHEMBL5000434

O=C1NCCn2nc(-c3ccnc(-n4nccn4)c3)cc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.64
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
ALOX5 P09917 1/20 0.32
IRAK1 P51617 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
PARP1 P09874 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL4996831 0.83 CDC7 (0.58) CDC7PIM1PIM2PIK3C3ALDH1A1
SCHEMBL5002898 0.82 CDC7 (0.60) CDC7PIM1PIM2PIK3C3ALDH1A1
SCHEMBL4990638 0.81 CDC7 (0.58) CDC7PIM1PIM2PIK3C3ALDH1A1
SCHEMBL14188388 0.81 CDC7 (0.62) CDC7PIM1PIM2PIK3C3ALDH1A1
SCHEMBL14188335 0.81 CDC7 (0.55) CDC7PIM1PIM2PIK3C3ALDH1A1
SCHEMBL4717392 0.81 CDC7 (0.68) CDC7PIM1PIM2PIK3C3ALDH1A1
SCHEMBL4994454 0.79 CDC7 (0.65) CDC7PIM1PIM2PIK3C3MAPKAPK2
SCHEMBL14188312 0.78 CDC7 (0.58) CDC7PIM1PIM2PIK3C3MAPKAPK2
SCHEMBL14188300 0.78 CDC7 (1.00) CDC7PIM1PIM2ALDH1A1GAA
SCHEMBL4994406 0.78 CDC7 (0.61) CDC7PIM1PIM2PIK3C3ALDH1A1

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.