SCHEMBL4066860

SCHEMBL4066860

O=c1ccc2c(-c3ccc(F)cc3)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.55
PDE3A Q14432 5/20 0.55
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 1/20 0.47
TNKS2 Q9H2K2 3/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
TNKS O95271 1/20 0.42
MAPK14 Q16539 3/20 0.42
PDGFRB P09619 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL8987046 0.81 HPGD (0.74) PDE3BPDE3AHTTHPGDMAPK1
SCHEMBL4072222 0.80 MAPK14 (0.44) PDE3BPDE3AHTTHPGDMAPK1
SCHEMBL4065378 0.78 TNKS2 (0.50) PDE3BPDE3AHTTHPGDMAPK1
SCHEMBL15690273 0.75 DAO (0.63) TNKS2CTSVCTSLTNKSMAPK14
SCHEMBL1082903 0.74 DAO (0.53) PDE3BPDE3AHTTHPGDMAPK1
SCHEMBL6322152 0.74 PIK3CD (0.64) MAPK1NR4A2MAPK14PDGFRBDAPK3
SCHEMBL10907198 0.73 KEAP1 (0.46) SMN1; SMN2NR4A2TNKS2CTSVCTSL
SCHEMBL15690428 0.72 MEN1 (0.58) HPGDTNKS2CTSVCTSLTNKS
SCHEMBL20495021 0.72 RHEB (0.50) HPGDMAPK1CTSVCTSLALDH1A1
SCHEMBL30071297 0.72 RHEB (0.50) HPGDMAPK1CTSVCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1294/4885HTT 3078/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 PDE3B 965/4885PDE3A 1294/4885HTT 3078/4885

“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.