SCHEMBL1047022

SCHEMBL1047022

O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(NC3CCCCC3)c2)c2cc(-c3cnn(CCO)c3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
CDC7 O00311 1/20 0.39
TTK P33981 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
TYRO3 Q06418 8/20 0.36
MERTK Q12866 8/20 0.36
AXL P30530 7/20 0.36
PDPK1 O15530 2/20 0.36
CYP3A4 P08684 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL1051994 0.90 PIK3CD (0.47) GSK3BCDC7TTKPIK3CDPIK3CA
SCHEMBL1046967 0.90 PDPK1 (0.45) GSK3BCDC7TTKTYRO3MERTK
SCHEMBL1049573 0.88 GSK3B (0.42) GSK3BCDC7PDPK1CYP3A4DRD2
SCHEMBL1049579 0.85 CDC7 (0.43) GSK3BCDC7PDPK1CYP3A4DRD2
SCHEMBL1046970 0.84 CDC7 (0.45) GSK3BCDC7PDPK1CYP3A4DRD2
SCHEMBL1048478 0.84 CDC7 (0.42) GSK3BCDC7PIK3CDPIK3CGPDPK1
SCHEMBL1051833 0.84 GSK3B (0.42) GSK3BCDC7CYP3A4DRD2SLC6A2
SCHEMBL1051028 0.84 CDC7 (0.48) GSK3BCDC7TYRO3MERTKAXL
SCHEMBL1049910 0.83 CDC7 (0.42) GSK3BCDC7PDPK1CYP3A4DRD2
SCHEMBL1051949 0.83 GSK3B (0.42) GSK3BCDC7TTKCYP3A4DRD2

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 3 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
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 GSK3B 442/4885CDC7 1/4885TTK 195/4885

“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.