SCHEMBL7007230

SCHEMBL7007230

COCCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
PDE5A O76074 5/20 0.50
PDE1A P54750 2/20 0.50
PDE1B Q01064 2/20 0.50
PDE1C Q14123 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.39
PDE2A O00408 1/20 0.38

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
SCHEMBL4623653 0.84 PDE5A (0.43) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL9646522 0.83 KDM4E (0.44) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL4796596 0.82 PDE1A (0.46) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL6234430 0.79 PDE5A (0.64) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL5646 0.76 PDE2A (0.61) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL3110928 0.76 PNP (0.48) MEN1KMT2APDE5ATSHRALDH1A1
SCHEMBL19583186 0.75 KDM4E (0.43) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL272517 0.73 KDM4E (0.41) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL9645631 0.72 ADORA2A (0.40) MEN1KMT2APDE5APDE1APDE1B
SCHEMBL2053839 0.72 PDE5A (0.42) MEN1KMT2APDE5APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968204-A1 PHOSPHODIESTERASE INHIBITOR TREATMENT Henkin, Robert I. (US) 2016-01-20 EP disclosed
EP-2903619-A1 PHOSPHODIESTERASE INHIBITORS FOR TREATING TASTE AND SMELL DISORDERS Henkin, Robert I. (US) 2015-08-12 EP disclosed
WO-2014143453-A1 PHOSPHODIESTERASE INHIBITOR TREATMENT HENKIN ROBERT I (US) 2014-09-18 WO disclosed
WO-2014055801-A1 PHOSPHODIESTERASE INHIBITORS FOR TREATING TASTE AND SMELL DISORDERS HENKIN ROBERT I (US) 2014-04-10 WO disclosed
EP-1267862-A2 METHODS AND COMPOSITIONS FOR IMPROVING SLEEP Cellegy Canada Inc. (CA) 2003-01-02 EP disclosed
WO-2001062290-A2 METHODS AND COMPOSITIONS FOR IMPROVING SLEEP CELLEGY CANADA INC. (CA) 2001-08-30 WO disclosed