SCHEMBL2424124

SCHEMBL2424124

O=c1[nH]c(=O)c2ccc(N3CCOCC3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.56
PDE3B Q13370 1/20 0.56
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PARP14 Q460N5 1/20 0.47
ERCC1 P07992 1/20 0.47
DNASE1 P24855 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
APAF1 O14727 1/20 0.47
CDC25B P30305 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KIF11 P52732 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL7029687 0.90 PDE3A (0.55) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL5058597 0.84 PDE3B (0.62) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL30096326 0.84 FGFR1 (0.47) PARP14ERCC1DNASE1FEN1ERCC4
SCHEMBL21676438 0.78 OPRM1 (0.52) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL6407854 0.77 PARP1 (0.51) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL6645304 0.77 PIK3CD (0.49) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL30662844 0.76 HSD17B10 (0.73) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL26610914 0.76 HSD17B10 (0.73) PDE3APDE3BPIK3CDPIK3CAPIK3CB
SCHEMBL3425392 0.75 ALDH1A1 (0.44) PDE3APDE3BAPAF1CDC25BCASP3
SCHEMBL7023134 0.75 PDE3A (0.62) PDE3APDE3BERCC1DNASE1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547664-B1 MORPHOLINYLQUINAZOLINES MERCK PATENT GMBH (DE) 2016-05-04 EP disclosed
EP-2547664-B1 MORPHOLINYLQUINAZOLINES MERCK PATENT GMBH (DE) 2016-05-04 EP disclosed
US-9126952-B2 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126952-B2 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126952-B2 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
EP-2547664-A1 MORPHOLINYLQUINAZOLINES Merck Patent GmbH (DE) 2013-01-23 EP disclosed
US-20130012489-A1 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2013-01-10 US disclosed
US-20130012489-A1 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2013-01-10 US disclosed
US-20130012489-A1 Morpholinylquinazolines MERCK PATENT GMBH (DE) 2013-01-10 US disclosed
WO-2011113512-A1 MORPHOLINYLQUINAZOLINES MERCK PATENT GMBH (DE) 2011-09-22 WO disclosed
WO-2011113512-A1 MORPHOLINYLQUINAZOLINES MERCK PATENT GMBH (DE) 2011-09-22 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-20130012489-A1 Morpholinylquinazolines LATS2, TNK2, SKP1 PDE3A 3307/4885PDE3B 3211/4885PIK3CD 1763/4885

“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.