SCHEMBL1014568

SCHEMBL1014568

Clc1cc(-c2c[nH]c3nccnc23)cc(NC2CCCC(C3CC3)C2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.56
GSK3B P49841 11/20 0.56
PRKACA P17612 12/20 0.46
HIPK2 Q9H2X6 12/20 0.46
CDK2 P24941 11/20 0.46
DAPK3 O43293 10/20 0.46
DYRK1A Q13627 10/20 0.46
MINK1 Q8N4C8 10/20 0.46
PIM1 P11309 10/20 0.46
PAK4 O96013 9/20 0.46
CDK8 P49336 9/20 0.46
PRKX P51817 9/20 0.46
MAP4K2 Q12851 9/20 0.46
STK3 Q13188 9/20 0.46
MAP4K5 Q9Y4K4 9/20 0.46
PKN2 Q16513 9/20 0.46
CDK5 Q00535 9/20 0.46
STK17A Q9UEE5 9/20 0.46
MAP4K4 O95819 9/20 0.46
CLK4 Q9HAZ1 8/20 0.46

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
SCHEMBL934236 0.87 CDC7 (0.71) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL6128670 0.86 CDC7 (0.54) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL934386 0.84 CDC7 (0.56) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL934734 0.83 CDC7 (0.51) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL936028 0.82 CDC7 (0.57) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL935168 0.82 CDC7 (0.58) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL935166 0.82 CDC7 (0.58) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL15673692 0.81 CDC7 (0.49) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL935164 0.81 CDC7 (0.55) CDC7GSK3BPRKACAHIPK2CDK2
SCHEMBL935975 0.79 CDC7 (0.60) CDC7GSK3BPRKACAHIPK2CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CDC7 1/4885GSK3B 307/4885PRKACA 125/4885

“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.