SCHEMBL1044478

SCHEMBL1044478

O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(NC3CCC(O)CC3)c2)c2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.48
GSK3B P49841 7/20 0.48
CDK8 P49336 8/20 0.47
MELK Q14680 7/20 0.47
STK17A Q9UEE5 6/20 0.47
DAPK3 O43293 6/20 0.47
PAK4 O96013 6/20 0.47
PRKACA P17612 6/20 0.47
PRKX P51817 6/20 0.47
MAP4K2 Q12851 6/20 0.47
STK3 Q13188 6/20 0.47
MINK1 Q8N4C8 6/20 0.47
HIPK2 Q9H2X6 6/20 0.47
MAP4K5 Q9Y4K4 6/20 0.47
CDK2 P24941 6/20 0.47
DYRK1A Q13627 6/20 0.47
CLK4 Q9HAZ1 6/20 0.47
PRKD3 O94806 5/20 0.47
PIM1 P11309 5/20 0.47
FLT3 P36888 5/20 0.47

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
SCHEMBL1044476 1.00 CDC7 (0.48) CDC7GSK3BCDK8MELKSTK17A
SCHEMBL1050976 0.91 CDC7 (0.56) CDC7GSK3BCDK8MELKSTK17A
SCHEMBL1050791 0.88 CDC7 (0.61) CDC7GSK3BCDK8MELKSTK17A
SCHEMBL1050793 0.88 CDC7 (0.61) CDC7GSK3BCDK8MELKSTK17A
SCHEMBL970581 0.85 ITK (0.43) CDC7GSK3BCDK8MELKSTK17A
SCHEMBL1048604 0.85 BRD4 (0.43) CDC7GSK3BSYKHTR6
SCHEMBL1051244 0.84 GPR119 (0.41) CDC7GSK3BHTR6
SCHEMBL1049986 0.82 CYP2C19 (0.49) CDK8CDK2CCNCHTR6CCNE1
SCHEMBL1046987 0.82 HTR6 (0.39) CDC7GSK3BCDK9JAK3PDPK1
SCHEMBL1051418 0.81 CDK8 (0.46) CDC7CDK8MELKSTK17ADAPK3

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 CDC7 1/4885GSK3B 442/4885CDK8 61/4885

“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.