SCHEMBL4585804

SCHEMBL4585804

C=Cc1ccc2ncc(C(=O)OCC)c(-c3ccncc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
MAPT P10636 6/20 0.44
SRC P12931 1/20 0.44
CSNK1D P48730 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK10 P53779 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4586486 0.90 MAPT (0.45) CDC7DBF4MAPTSRCCSNK1D
SCHEMBL4586473 0.81 MEN1 (0.51) MAPTNPSR1GAAKDM4EATM
SCHEMBL4586201 0.76 MEN1 (0.61) MAPTNPSR1GAAL3MBTL1MAPK1
SCHEMBL8786827 0.73 MEN1 (0.58) MAPTGAAKDM4EATML3MBTL1
SCHEMBL2720141 0.72 ALDH1A1 (0.61) MAPTNPSR1KDM4EATML3MBTL1
SCHEMBL31312734 0.71 MEN1 (0.53) MAPTNPSR1GAAKDM4EATM
SCHEMBL4594354 0.71 MEN1 (0.50) MAPTNPSR1GAAKDM4EATM
SCHEMBL3883281 0.71 MEN1 (0.55) MAPTNPSR1GAAKDM4EATM
SCHEMBL20494991 0.70 KMT2A (0.60) MAPTNPSR1GAAKDM4EATM
SCHEMBL31312996 0.70 MEN1 (0.51) MAPTNPSR1GAAKDM4EATM

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 CDC7 446/4885DBF4 1721/4885MAPT 1880/4885

“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.