SCHEMBL4586486

SCHEMBL4586486

CCOC(=O)c1cnc2ccc(C=O)cc2c1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
CSNK1D P48730 1/20 0.44
SRC P12931 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.43
CASP1 P29466 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 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
SCHEMBL4585804 0.90 CDC7 (0.45) MAPTCSNK1DSRCNPSR1KDM4E
SCHEMBL3883281 0.81 MEN1 (0.55) MAPTNPSR1KDM4EGAAATM
SCHEMBL4594354 0.81 MEN1 (0.50) MAPTNPSR1KDM4EGAAATM
SCHEMBL4587457 0.75 MEN1 (0.59) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL8786827 0.74 MEN1 (0.58) MAPTKDM4EGAAATML3MBTL1
SCHEMBL2720141 0.73 ALDH1A1 (0.61) MAPTNPSR1KDM4EATML3MBTL1
SCHEMBL31312734 0.72 MEN1 (0.53) MAPTNPSR1KDM4EGAAATM
SCHEMBL3065174 0.71 THRB (0.51) MAPTKDM4EL3MBTL1MEN1KMT2A
SCHEMBL4586473 0.70 MEN1 (0.51) MAPTNPSR1KDM4EGAAATM
SCHEMBL31312996 0.70 MEN1 (0.51) MAPTNPSR1KDM4EGAAATM

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
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MAPT 1880/4885CSNK1D 2203/4885SRC 2902/4885

“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.