SCHEMBL5564752

SCHEMBL5564752

COc1ccc(-c2nn3c(NC4CCCC4)ccnc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.52
MAPK10 P53779 3/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
GSK3B P49841 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK1D P48730 1/20 0.41
CDK5 Q00535 1/20 0.40
CREBBP Q92793 1/20 0.40
HTR6 P50406 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL5564255 0.88 MEN1 (0.41) EIF2AK2GSK3BMEN1KMT2AATM
SCHEMBL6105305 0.87 EIF2AK2 (0.51) EIF2AK2MAPK10GSK3BMKNK1CDK5
SCHEMBL6106995 0.86 EIF2AK2 (0.50) EIF2AK2MAPK10GSK3BMKNK1CDK5
SCHEMBL6106606 0.86 EIF2AK2 (0.50) EIF2AK2MAPK10GSK3BMKNK1CDK5
SCHEMBL5890132 0.85 EIF2AK2 (0.49) EIF2AK2MAPK10GSK3B
SCHEMBL6702313 0.85 EIF2AK2 (0.49) EIF2AK2MAPK10CDK1GSK3BCSNK1D
SCHEMBL5890058 0.85 EIF2AK2 (0.49) EIF2AK2MAPK10GSK3BCSNK2A1
SCHEMBL5890754 0.85 EIF2AK2 (0.49) EIF2AK2MAPK10GSK3BCSNK2A1
SCHEMBL6108267 0.83 GSK3B (0.51) EIF2AK2MAPK10GSK3BMKNK1CDK5
SCHEMBL5453019 0.83 EIF2AK2 (0.50) EIF2AK2MAPK10CCNB2CDK1CCNB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504004-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP claimed
US-20050203106-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 US claimed
US-7304068-B2 Substituted pyrazolo [1,5-A] pyrimidinyls and pharmaceutical uses therefore SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-7304068-B2 Substituted pyrazolo [1,5-A] pyrimidinyls and pharmaceutical uses therefore SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
EP-1504004-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20050203106-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203106-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 EIF2AK2 3499/4885MAPK10 2227/4885CCNB2 1454/4885

“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.