SCHEMBL1049376

SCHEMBL1049376

O=S(=O)(N[C@@H]1CCCC[C@H]1Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 19/20 0.68
GSK3B P49841 13/20 0.68
PRKACA P17612 14/20 0.54
HIPK2 Q9H2X6 14/20 0.54
ROCK2 O75116 14/20 0.54
CDK2 P24941 13/20 0.54
CLK4 Q9HAZ1 12/20 0.54
PIM1 P11309 12/20 0.54
DYRK1A Q13627 11/20 0.54
MELK Q14680 10/20 0.54
MAP4K4 O95819 10/20 0.54
STK17A Q9UEE5 10/20 0.54
DAPK3 O43293 9/20 0.54
PRKX P51817 9/20 0.54
PKN2 Q16513 9/20 0.54
CDK9 P50750 9/20 0.54
PAK4 O96013 8/20 0.54
MINK1 Q8N4C8 8/20 0.54
MAP4K5 Q9Y4K4 8/20 0.54
CDK8 P49336 8/20 0.54

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
SCHEMBL1046345 0.90 CDC7 (0.69) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1050608 0.90 CDC7 (0.69) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1044382 0.90 CDC7 (0.69) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1051251 0.90 CDC7 (0.69) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1044383 0.90 CDC7 (0.69) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1041329 0.88 CDC7 (0.72) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1041328 0.88 CDC7 (0.72) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1042995 0.87 CDC7 (0.70) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL1047189 0.86 CDC7 (0.65) CDC7GSK3BPRKACAHIPK2ROCK2
SCHEMBL14905732 0.84 CDC7 (0.74) CDC7GSK3BPRKACAHIPK2ROCK2

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 6 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 claimed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US claimed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US claimed
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
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 CDC7 1/4885GSK3B 442/4885PRKACA 78/4885

“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.