SCHEMBL4991253

SCHEMBL4991253

O=C1NCCn2nc(-c3ccnc(-c4ccc5[nH]ccc5c4)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.57
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
GLO1 Q04760 1/20 0.41
DYRK3 O43781 3/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
CDK5 Q00535 3/20 0.40
DYRK1A Q13627 3/20 0.40
CDK5R1 Q15078 3/20 0.40
DYRK2 Q92630 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
MAPKAPK2 P49137 2/20 0.39
JAK2 O60674 1/20 0.39
PARP1 P09874 1/20 0.39
PRKDC P78527 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL5002673 0.92 CDC7 (0.58) CDC7PARP10PARP11MAPKAPK2PRKDC
SCHEMBL14188396 0.85 CDC7 (0.55) CDC7PARP10PARP11GLO1CCNT1
SCHEMBL14188367 0.85 CDC7 (0.55) CDC7DYRK3CDK5DYRK1ACDK5R1
SCHEMBL14188427 0.84 CDC7 (0.54) CDC7CDK5CDK5R1MAPKAPK2MAP3K11
SCHEMBL14188405 0.81 CDC7 (0.66) CDC7MAPKAPK2PIM1PIM2
SCHEMBL4716033 0.81 CDC7 (0.66) CDC7CDK5CDK5R1MAPKAPK2PIM1
SCHEMBL5000428 0.81 CDC7 (0.62) CDC7MAPKAPK2PIM1PIM2
SCHEMBL14188308 0.81 CDC7 (0.56) CDC7CDK9DYRK1AMAPKAPK2PRKDC
SCHEMBL5002274 0.81 CDC7 (0.56) CDC7DYRK3DYRK1AMAPKAPK2PARP1
SCHEMBL14188402 0.81 CDC7 (0.61) CDC7MAPKAPK2PIM1PIM2

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 487/4885PARP10 1407/4885PARP11 1426/4885

“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.