SCHEMBL1048478

SCHEMBL1048478

Nc1ccc(-c2cnc3c(c2)c(-c2cc(Cl)nc(NC4CCCCC4)c2)cn3S(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.42
GSK3B P49841 2/20 0.42
PIK3CG P48736 5/20 0.38
PIK3CD O00329 2/20 0.38
BRD4 O60885 5/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTPN11 Q06124 1/20 0.36
CDK1 P06493 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL1051833 0.91 GSK3B (0.42) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1051028 0.89 CDC7 (0.48) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1049579 0.89 CDC7 (0.43) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1051949 0.89 GSK3B (0.42) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1046967 0.88 PDPK1 (0.45) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1049573 0.88 GSK3B (0.42) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1049910 0.87 CDC7 (0.42) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1051102 0.86 CDC7 (0.45) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1046970 0.86 CDC7 (0.45) CDC7GSK3BBRD4CYP3A4DRD2
SCHEMBL1051375 0.86 CDC7 (0.45) CDC7GSK3BBRD4CYP3A4DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 442/4885PIK3CG 343/4885

“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.