SCHEMBL5875488

SCHEMBL5875488

CCSc1cc(Cl)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.46
EIF2AK2 P19525 1/20 0.45
MAPK10 P53779 5/20 0.42
MAPK14 Q16539 3/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 1/20 0.42
CDK4 P11802 1/20 0.42
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
GSK3B P49841 4/20 0.41
IKBKB O14920 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
LYN P07948 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL5215590 0.93 CSNK1D (0.46) CSNK1DMAPK10MAPK14MAPK13MAPK12
Ethyl Acetate SCHEMBL5875499 0.92 EIF2AK2 (0.41) CSNK1DEIF2AK2MAPK10MAPK14MAPK13
SCHEMBL5890649 0.87 CSNK1D (0.51) CSNK1DEIF2AK2MAPK10MAPK14MAPK13
SCHEMBL5891079 0.86 CSNK1D (0.50) CSNK1DEIF2AK2MAPK10MAPK14MAPK13
SCHEMBL5890640 0.85 CSNK1D (0.49) CSNK1DEIF2AK2MAPK10MAPK14MAPK13
SCHEMBL5890913 0.84 CSNK1D (0.47) CSNK1DEIF2AK2MAPK10MAPK14MAPK13
SCHEMBL5214973 0.83 CSNK1D (0.51) CSNK1DEIF2AK2MAPK10MAPK14MAPK13
SCHEMBL6182823 0.83 GSK3B (0.59) GSK3BCDK2
SCHEMBL5215526 0.83 CSNK1D (0.47) CSNK1DMAPK10MAPK14MAPK13MAPK12
SCHEMBL5214999 0.83 EIF2AK2 (0.46) CSNK1DEIF2AK2MAPK10MAPK14MAPK13

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
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US claimed
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 US disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-17 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 (3 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-20050059677-A1 Pyralopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP2C19 CSNK1D 1070/4885EIF2AK2 3830/4885MAPK10 2668/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 CSNK1D 542/4885EIF2AK2 3578/4885MAPK10 2405/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 CSNK1D 2789/4885EIF2AK2 57/4885MAPK10 2996/4885

“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.