SCHEMBL4064101

SCHEMBL4064101

Cn1c(=O)ccc2c(-c3ccccc3)nccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
HSD17B10 Q99714 3/20 0.46
BRD4 O60885 2/20 0.42
CA12 O43570 1/20 0.42
BRPF1 P55201 1/20 0.42
CA9 Q16790 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ADORA1 P30542 3/20 0.42
ADORA2A P29274 1/20 0.41
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL4293106 0.80 PDE3B (0.47) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL4069762 0.77 CFTR (0.47) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL10812441 0.75 PDE3B (0.43) PDE3BPDE3AHSD17B10BRD4CA12
SCHEMBL13726378 0.73 HPGDS (0.45) PDE3BPDE3AHSD17B10HPGDKDM4E
SCHEMBL18014941 0.70 ALKBH5 (0.49) HSD17B10HPGDKDM4EALDH1A1GAA
SCHEMBL11608488 0.69 HPGD (0.53) HSD17B10HPGDKDM4EALDH1A1GAA
SCHEMBL11100168 0.67 PDE3B (0.53) PDE3BPDE3AHSD17B10HPGDKDM4E
SCHEMBL4904481 0.66 NQO2 (0.41) PDE3BPDE3AKDM4ENQO2KMT2A
SCHEMBL27659542 0.66 BRD4 (0.47) BRD4KDM4EALDH1A1ADORA1ADORA2A
SCHEMBL8944339 0.65 BRPF1 (0.63) HSD17B10BRD4CA12BRPF1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP claimed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US claimed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP claimed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US disclosed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed
EP-0168037-B1 1-6-NAPHTHYRIDIN-2(1H)-ONES USEFUL AS CARDIOTONICS STERLING DRUG INC. (US) 1990-02-07 EP disclosed
EP-0168037-A2 1-6-Naphthyridin-2(1H)-ones useful as cardiotonics STERLING DRUG INC. (US) 1986-01-15 EP disclosed
US-4560691-A 5-(Phenyl)-1,6-naphthyridin-2(1H)-ones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1985-12-24 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 (2 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 PDE3B 965/4885PDE3A 1294/4885HSD17B10 3181/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 PDE3B 965/4885PDE3A 1294/4885HSD17B10 3181/4885

“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.