SCHEMBL4010753

SCHEMBL4010753

Nc1cc(CCC2CCOC2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
XDH P47989 1/20 0.36
MAPK1 P28482 3/20 0.35
MCHR1 Q99705 1/20 0.34
GSK3B P49841 4/20 0.34
KCNH2 Q12809 4/20 0.34
TLR7 Q9NYK1 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PIK3CA P42336 3/20 0.31
DRD4 P21917 2/20 0.31
AKT1 P31749 1/20 0.31
MTOR P42345 1/20 0.31
MAP4K4 O95819 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL20262415 0.85 XDH (0.37) DAOXDHMAPK1MCHR1GSK3B
SCHEMBL3946010 0.78 DAO (0.46) DAO
SCHEMBL18367452 0.78 CNR1 (0.41) DAOXDHMAPK1GSK3BKCNH2
SCHEMBL14723143 0.69 DAO (0.39) DAOPRMT5WDR77NPC1MAPT
SCHEMBL14722728 0.67 PRMT5 (0.40) DAOPRMT5WDR77PIK3CA
SCHEMBL29327043 0.67 PRMT5 (0.40) DAOPRMT5WDR77PIK3CA
SCHEMBL20282527 0.67 CNR1 (0.35) DAOXDHMAPK1KCNH2TLR7
SCHEMBL17950142 0.66
SCHEMBL14722547 0.64
SCHEMBL1706467 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 DAO 4285/4885XDH 342/4885MAPK1 2324/4885

“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.