SCHEMBL1046970

SCHEMBL1046970

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.45
GSK3B P49841 2/20 0.45
CYP3A4 P08684 1/20 0.37
DRD2 P14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CDK1 P06493 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
PDPK1 O15530 2/20 0.36
CHEK1 O14757 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36

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
SCHEMBL15190079 0.91 PDPK1 (0.41) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL15190080 0.91 PDPK1 (0.41) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1051375 0.90 CDC7 (0.45) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1051102 0.90 CDC7 (0.45) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1050749 0.89 CDC7 (0.44) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1051749 0.89 CDC7 (0.46) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1049573 0.88 GSK3B (0.42) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1051263 0.88 CCR6 (0.44) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1049579 0.88 CDC7 (0.43) CDC7GSK3BCYP3A4DRD2SLC6A2
SCHEMBL1051282 0.87 CDC7 (0.44) CDC7GSK3BCYP3A4DRD2SLC6A2

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 5 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
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 442/4885CYP3A4 3556/4885

“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.