SCHEMBL935404

SCHEMBL935404

CS(=O)(=O)N1CCCC(CNc2cc(-c3c[nH]c4nccnc34)cc(Cl)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.48
ROCK2 O75116 13/20 0.48
PRKACA P17612 13/20 0.48
CDK2 P24941 13/20 0.48
HIPK2 Q9H2X6 13/20 0.48
GSK3B P49841 12/20 0.48
PIM1 P11309 12/20 0.48
CDK7 P50613 8/20 0.48
CDK9 P50750 8/20 0.48
CLK4 Q9HAZ1 8/20 0.48
MAP4K4 O95819 8/20 0.48
JAK3 P52333 8/20 0.48
DAPK3 O43293 6/20 0.48
CLK2 P49760 6/20 0.48
PRKX P51817 6/20 0.48
CDK5 Q00535 6/20 0.48
DYRK1A Q13627 6/20 0.48
MELK Q14680 6/20 0.48
PKN2 Q16513 6/20 0.48
STK17A Q9UEE5 6/20 0.48

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
SCHEMBL1051200 0.88 CDC7 (0.62) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL935037 0.87 ROCK2 (0.44) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL935927 0.85 JAK2 (0.52) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1045294 0.80 CDC7 (0.57) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL935451 0.77 IDO1 (0.39) IRAK1CYP4F2CYP4A11
SCHEMBL992787 0.75 CDC7 (0.61) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL935164 0.74 CDC7 (0.55) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL993295 0.74 CDC7 (0.70) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1044514 0.73 CDC7 (0.58) CDC7ROCK2PRKACACDK2HIPK2
SCHEMBL1045370 0.73 CDC7 (0.58) CDC7ROCK2PRKACACDK2HIPK2

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 9 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
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 1/4885ROCK2 323/4885PRKACA 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.