SCHEMBL935236

SCHEMBL935236

CS(=O)(=O)NC1CCCC(Nc2cc(I)cc(Cl)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.46
CDC7 O00311 5/20 0.46
GSK3B P49841 5/20 0.46
CDK2 P24941 5/20 0.46
CDK9 P50750 5/20 0.46
DAPK3 O43293 4/20 0.46
MAP4K4 O95819 4/20 0.46
PAK4 O96013 4/20 0.46
PRKACA P17612 4/20 0.46
FLT3 P36888 4/20 0.46
CLK2 P49760 4/20 0.46
PRKX P51817 4/20 0.46
JAK3 P52333 4/20 0.46
CDK5 Q00535 4/20 0.46
MAP4K2 Q12851 4/20 0.46
STK3 Q13188 4/20 0.46
DYRK1A Q13627 4/20 0.46
PKN2 Q16513 4/20 0.46
MINK1 Q8N4C8 4/20 0.46
HIPK2 Q9H2X6 4/20 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
SCHEMBL1045762 0.87 CDC7 (0.36) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL953819 0.80 CDC7 (0.35) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL1050888 0.78 PIM1 (0.42) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL1082308 0.78 CDC7 (0.37) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL955459 0.77 GRM5 (0.43) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL936047 0.77 KMT2A (0.53) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL935501 0.76 JAK2 (0.43) JAK3
SCHEMBL993359 0.76 BTK (0.48) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL955397 0.75 CDK9 (0.51) PIM1CDC7GSK3BCDK2CDK9
SCHEMBL1051959 0.75 CDC7 (0.36) PIM1CDC7GSK3BCDK2CDK9

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 5 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 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 PIM1 520/4885CDC7 1/4885GSK3B 307/4885

“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.