SCHEMBL970112

SCHEMBL970112

CN1CCCC(CNc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4nccnc34)cc(Cl)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
KCNH2 Q12809 1/20 0.37
CDK9 P50750 2/20 0.36
PFKFB3 Q16875 1/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL970398 0.87 CDC7 (0.39) HTR6CDK9PFKFB3CDC7PIM1
SCHEMBL952331 0.78 CYP2C19 (0.44) HTR6CDK2CDK8
SCHEMBL972080 0.75 USP30 (0.42) HTR6PIM1USP30
SCHEMBL958790 0.75 MAPK14 (0.51) CDC7ROCK2MAP4K4CDK8ROCK1
SCHEMBL935037 0.74 ROCK2 (0.44) IRAK4KCNH2CDK9CDC7DAPK3
SCHEMBL1050301 0.71 CDK2 (0.57) HTR6IRAK4CDK9CDC7DAPK3
SCHEMBL992787 0.71 CDC7 (0.61) IRAK4CDK9CDC7DAPK3ROCK2
SCHEMBL1050976 0.71 CDC7 (0.56) HTR6IRAK4CDK9CDC7DAPK3
SCHEMBL951971 0.69 CDC7 (0.43) IRAK4CDC7DAPK3PAK4PRKACA
SCHEMBL1046359 0.69 DAPK3 (0.50) HTR6IRAK4CDK9CDC7DAPK3

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 HTR6 4700/4885IRAK4 1449/4885KCNH2 2047/4885

“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.