SCHEMBL1043448

SCHEMBL1043448

Clc1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(NC3CCC3)CC2)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 19/20 0.86
GSK3B P49841 10/20 0.86
PRKACA P17612 10/20 0.67
HIPK2 Q9H2X6 10/20 0.67
DAPK3 O43293 8/20 0.67
DYRK1A Q13627 8/20 0.67
MELK Q14680 8/20 0.67
CDK8 P49336 7/20 0.67
MINK1 Q8N4C8 7/20 0.67
PAK4 O96013 7/20 0.67
PRKX P51817 7/20 0.67
CLK4 Q9HAZ1 7/20 0.67
PKN2 Q16513 7/20 0.67
MAP4K2 Q12851 6/20 0.67
STK3 Q13188 6/20 0.67
MAP4K5 Q9Y4K4 6/20 0.67
IRAK4 Q9NWZ3 6/20 0.67
CHEK1 O14757 4/20 0.67
MAPK13 O15264 4/20 0.67
DYRK3 O43781 4/20 0.67

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
SCHEMBL1043445 1.00 CDC7 (0.86) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1045779 0.98 CDC7 (0.90) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1045782 0.98 CDC7 (0.90) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1046067 0.96 CDC7 (0.94) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1044969 0.94 CDC7 (0.77) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1043895 0.94 CDC7 (0.80) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1045231 0.93 CDC7 (0.81) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1044422 0.93 CDC7 (0.75) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1043587 0.93 CDC7 (1.00) CDC7GSK3BPRKACAHIPK2DAPK3
SCHEMBL1042369 0.92 CDC7 (0.76) CDC7GSK3BPRKACAHIPK2DAPK3

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 442/4885PRKACA 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.