SCHEMBL1047355

SCHEMBL1047355

CCNC(=O)Nc1cnc2c(c1)c(-c1cc(Cl)nc(NC3CCCCC3)c1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.41
GSK3B P49841 2/20 0.41
PDPK1 O15530 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
NAMPT P43490 1/20 0.35
PIK3C3 Q8NEB9 3/20 0.35
CDK2 P24941 3/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35
CSNK1A1 P48729 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
SCHEMBL1051282 0.91 CDC7 (0.44) CDC7GSK3BPDPK1PIK3C3DAPK3
SCHEMBL1050742 0.86 CDC7 (0.45) CDC7GSK3BPDPK1CDK2DAPK3
SCHEMBL1051749 0.86 CDC7 (0.46) CDC7GSK3BPDPK1CDK2DAPK3
SCHEMBL1051102 0.84 CDC7 (0.45) CDC7GSK3BPDPK1DAPK3PAK4
SCHEMBL1046970 0.84 CDC7 (0.45) CDC7GSK3BPDPK1PIK3C3CDK2
SCHEMBL1050749 0.83 CDC7 (0.44) CDC7GSK3BPDPK1CDK2DAPK3
SCHEMBL1051375 0.83 CDC7 (0.45) CDC7GSK3BPDPK1PIK3C3CDK2
SCHEMBL1046967 0.81 PDPK1 (0.45) CDC7GSK3BPDPK1CDK2DYRK1A
SCHEMBL1051263 0.81 CCR6 (0.44) CDC7GSK3BPDPK1CDK2DAPK3
SCHEMBL1049579 0.81 CDC7 (0.43) CDC7GSK3BPDPK1PIK3C3CDK2

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 442/4885PDPK1 113/4885

“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.