SCHEMBL1046359

SCHEMBL1046359

COc1ccc(CNc2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncccc34)cc(Cl)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 3/20 0.50
ROCK2 O75116 3/20 0.50
PRKD3 O94806 3/20 0.50
PAK4 O96013 3/20 0.50
PIM1 P11309 3/20 0.50
PRKACA P17612 3/20 0.50
CDK2 P24941 3/20 0.50
FLT3 P36888 3/20 0.50
CSNK1A1 P48729 3/20 0.50
CLK2 P49760 3/20 0.50
GSK3B P49841 3/20 0.50
CDK7 P50613 3/20 0.50
CDK9 P50750 3/20 0.50
PRKX P51817 3/20 0.50
JAK3 P52333 3/20 0.50
CAMK2D Q13557 3/20 0.50
DYRK1A Q13627 3/20 0.50
PKN2 Q16513 3/20 0.50
HIPK2 Q9H2X6 3/20 0.50
STK17A Q9UEE5 3/20 0.50

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
SCHEMBL1050301 0.93 CDK2 (0.57) DAPK3ROCK2PRKD3PAK4PIM1
SCHEMBL15190122 0.84 CDC7 (0.57) DAPK3ROCK2PRKD3PAK4PIM1
SCHEMBL1050348 0.83 CDC7 (0.60) DAPK3ROCK2PRKD3PAK4PIM1
SCHEMBL1049986 0.82 CYP2C19 (0.49) CDK2HTR6CDK8BRD4CCNC
SCHEMBL1051418 0.81 CDK8 (0.46) DAPK3ROCK2PRKACACDK2CSNK1A1
SCHEMBL1044612 0.79 CDC7 (0.47) DAPK3ROCK2PRKD3PAK4PIM1
SCHEMBL1044724 0.77 CDK2 (0.47) DAPK3ROCK2PRKD3PAK4PIM1
SCHEMBL1050976 0.77 CDC7 (0.56) DAPK3ROCK2PRKD3PAK4PIM1
SCHEMBL15705225 0.77 L3MBTL1 (0.45) HTR6DRD2HTR7CDC7MAPT
SCHEMBL1051384 0.76 HTR6 (0.46) HTR6DRD2HTR7HTR2ABRD4

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-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 DAPK3 350/4885ROCK2 373/4885PRKD3 104/4885

“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.