SCHEMBL4069762

SCHEMBL4069762

O=c1ccc2c(-c3ccccc3)nccc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
P2RX4 Q99571 1/20 0.45
MCL1 Q07820 1/20 0.45
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
EGLN1 Q9GZT9 3/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP19A1 P11511 1/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL4064101 0.77 PDE3B (0.48) ALDH1A1SMN1; SMN2KMT2AKDM4EADORA2B
SCHEMBL29200848 0.75 MAPK14 (0.59) CFTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30783435 0.75 MAPK14 (0.59) CFTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4293106 0.75 PDE3B (0.47) ALDH1A1KMT2AKDM4EADORA2BADORA1
SCHEMBL27864221 0.73 ALDH1A1 (0.51) CFTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30783430 0.71 KMT2A (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL29200844 0.71 KMT2A (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28988615 0.68 CFTR (0.51) CFTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11638904 0.68 LMNA (0.66) CFTRMEN1KMT2AKDM4EMAPT
SCHEMBL10642119 0.67 KMT2A (0.64) CFTRALDH1A1SMN1; SMN2MEN1KMT2A

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 14 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

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 CFTR 2898/4885ALDH1A1 3499/4885SMN1; SMN2 2180/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 CFTR 2898/4885ALDH1A1 3499/4885SMN1; SMN2 2180/4885

“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.