SCHEMBL934734

SCHEMBL934734

O=C(NC1CCCC(Nc2cc(-c3c[nH]c4nccnc34)cc(Cl)n2)C1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 16/20 0.51
GSK3B P49841 8/20 0.51
DYRK1A Q13627 11/20 0.46
STK17A Q9UEE5 10/20 0.46
DAPK3 O43293 9/20 0.46
PRKACA P17612 9/20 0.46
PRKX P51817 9/20 0.46
PKN2 Q16513 9/20 0.46
MINK1 Q8N4C8 9/20 0.46
HIPK2 Q9H2X6 9/20 0.46
MAP4K5 Q9Y4K4 9/20 0.46
CDK8 P49336 9/20 0.46
PAK4 O96013 8/20 0.46
MAP4K2 Q12851 8/20 0.46
STK3 Q13188 8/20 0.46
MAP4K4 O95819 8/20 0.46
CDK2 P24941 8/20 0.46
CLK2 P49760 8/20 0.46
CDK9 P50750 8/20 0.46
CDK5 Q00535 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
SCHEMBL934902 0.91 CDC7 (0.52) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL934901 0.91 CDC7 (0.52) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL1044767 0.87 CDC7 (0.70) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL935975 0.85 CDC7 (0.60) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL15673954 0.84 CDC7 (0.51) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL1045219 0.83 CDC7 (0.67) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL1014568 0.83 CDC7 (0.56) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL934386 0.83 CDC7 (0.56) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL934236 0.82 CDC7 (0.71) CDC7GSK3BDYRK1ASTK17ADAPK3
SCHEMBL935147 0.82 CDC7 (0.47) CDC7GSK3BDYRK1ASTK17ADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP claimed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US claimed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US claimed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO 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 307/4885DYRK1A 342/4885

“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.