SCHEMBL1045862

SCHEMBL1045862

O=C(NCCS(=O)(=O)NC1CCCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)C1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.58
GSK3B P49841 14/20 0.58
DYRK1A Q13627 13/20 0.57
STK17A Q9UEE5 12/20 0.57
MAP4K4 O95819 11/20 0.57
CLK4 Q9HAZ1 11/20 0.57
CDK8 P49336 10/20 0.57
MELK Q14680 9/20 0.57
DYRK1B Q9Y463 5/20 0.57
MAPK14 Q16539 1/20 0.57
PRKACA P17612 14/20 0.52
HIPK2 Q9H2X6 14/20 0.52
CDK2 P24941 13/20 0.52
PIM1 P11309 12/20 0.52
ROCK2 O75116 12/20 0.52
DAPK3 O43293 11/20 0.52
PRKX P51817 11/20 0.52
PKN2 Q16513 11/20 0.52
CDK9 P50750 11/20 0.52
MINK1 Q8N4C8 10/20 0.52

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
SCHEMBL1044443 0.93 CDC7 (0.61) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1044444 0.93 CDC7 (0.61) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1049547 0.91 CDC7 (0.61) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1048246 0.90 CDC7 (0.60) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1042041 0.90 CDC7 (0.56) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1045262 0.88 CDC7 (0.65) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1042719 0.86 CDC7 (0.66) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1044014 0.86 CDC7 (0.66) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1041087 0.85 CDC7 (0.61) CDC7GSK3BDYRK1ASTK17AMAP4K4
SCHEMBL1044270 0.84 CDC7 (0.60) CDC7GSK3BDYRK1ASTK17AMAP4K4

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 10 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
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO 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
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 CDC7 1/4885GSK3B 442/4885DYRK1A 355/4885

“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.