SCHEMBL3970549

SCHEMBL3970549

CCNc1nc(SC)ncc1/C=N/c1cc(OC)cc(OC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 11/20 0.39
GSK3B P49841 1/20 0.39
MAP4K2 Q12851 1/20 0.39
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3970556 1.00 PGK1 (0.39) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL3969850 0.83 HTT (0.40) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL3969859 0.83 HTT (0.40) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL3970550 0.81 CYP1A2 (0.35) HTTMEN1KMT2AGAAMAPT
SCHEMBL6744858 0.80 PDCD1 (0.34) MEN1KMT2AGAAMAPTPKM
SCHEMBL4403038 0.78 KDM4E (0.37) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL4403044 0.78 KDM4E (0.37) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL3970876 0.76 HTT (0.45) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL27627091 0.72 KDM4E (0.56) PGK1GSK3BMAP4K2HTTKDM4E
SCHEMBL30045400 0.67 PGK1 (0.41) PGK1GSK3BMAP4K2KDM4E

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
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 PGK1 502/4885GSK3B 1533/4885MAP4K2 586/4885

“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.