SCHEMBL2917587

SCHEMBL2917587

Cc1nc2c([nH]1)c(=O)n(CC(C)C)c(=O)n2CC(C)C

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.78
PDE1B Q01064 4/20 0.78
PDE1C Q14123 4/20 0.78
PDE2A O00408 3/20 0.78
SIRT1 Q96EB6 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
SIRT5 Q9NXA8 1/20 0.60
ADORA2A P29274 6/20 0.56
ADORA2B P29275 6/20 0.56
PDE5A O76074 3/20 0.53
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA1 P30542 2/20 0.51
CFTR P13569 1/20 0.47

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
SCHEMBL10855561 0.90 PDE2A (0.73) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL4623475 0.89 PDE1A (0.71) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL897036 0.88 PDE1A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL10857602 0.88 PDE1A (0.66) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL9430688 0.87 PDE1A (0.68) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL1462083 0.86 PDE1A (0.68) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL9430349 0.86 PDE1A (0.67) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL9430566 0.80 PDE2A (0.56) PDE1APDE1BPDE1CPDE2ASIRT1
SCHEMBL1460835 0.80 PDE1A (0.75) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL11286152 0.79 PDE2A (0.59) PDE1APDE1BPDE1CPDE2ASIRT1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471903-B1 Placental stem cell populations ANTHROGENESIS CORP (US) 2018-02-14 EP claimed
EP-0407651-A2 Use of 1,3-diisobutyl-8-methylxanthine as a bronchodilator and antiallergy agent J. URIACH & CIA. S.A. (ES) 1991-01-16 EP claimed
EP-0039780-A1 Di- or trisubstituted xanthines with neuroleptic activity, process for their preparation and pharmaceutical preparations containing them SOCIETE DES PRODUITS NESTLE S.A. (CH) 1981-11-18 EP claimed
EP-3174972-A1 METHOD FOR IN VITRO PRODUCTION OF ADIPOCYTE PROGENITORS AND ADIPOCYTES Université Pierre et Marie Curie (Paris 6) (FR) 2017-06-07 EP disclosed
WO-2016016572-A1 METHOD FOR IN VITRO PRODUCTION OF ADIPOCYTE PROGENITORS AND ADIPOCYTES UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2016-02-04 WO disclosed
EP-2264171-A1 Anti-myosine Va siRNA and skin depigmentation Pierre Fabre Dermo-Cosmétique (FR) 2010-12-22 EP disclosed
EP-1963507-B1 ANTI-MYOSIN VA SIRNA AND SKIN DEPIGMENTATION FABRE PIERRE DERMO COSMETIQUE (FR) 2010-10-13 EP disclosed
WO-2010041863-A3 MEDIA COMPOSITION FOR ADIPOCYTE DIFFERENTIATION 숙명여자대학교산학협력단 (KR) 2010-09-16 WO disclosed
WO-2010041863-A8 MEDIA COMPOSITION FOR ADIPOCYTE DIFFERENTIATION 숙명여자대학교산학협력단 (KR) 2010-07-29 WO disclosed
WO-2010041863-A9 MEDIA COMPOSITION FOR ADIPOCYTE DIFFERENTIATION 숙명여자대학교산학협력단 (KR) 2010-06-10 WO disclosed
WO-2010041863-A2 MEDIA COMPOSITION FOR ADIPOCYTE DIFFERENTIATION 숙명여자대학교산학협력단 (KR) 2010-04-15 WO disclosed
EP-0618801-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION CONTAINING A BLACK HOREHOUND EXTRACT LVMH RECHERCHE (FR) 1994-10-12 EP disclosed
EP-0591027-A1 Piperidine derivatives, their preparation and their use as medicine SYNTHELABO (FR) 1994-04-06 EP disclosed
WO-1993010804-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION CONTAINING A BLACK HOREHOUND EXTRACT LVMH RECHERCHE (FR) 1993-06-10 WO disclosed
EP-0407651-A2 Use of 1,3-diisobutyl-8-methylxanthine as a bronchodilator and antiallergy agent J. URIACH & CIA. S.A. (ES) 1991-01-16 EP disclosed
EP-0407651-A2 Use of 1,3-diisobutyl-8-methylxanthine as a bronchodilator and antiallergy agent J. URIACH & CIA. S.A. (ES) 1991-01-16 EP disclosed
EP-0407651-A2 Use of 1,3-diisobutyl-8-methylxanthine as a bronchodilator and antiallergy agent J. URIACH & CIA. S.A. (ES) 1991-01-16 EP disclosed
US-4581451-A ALKYLATION AND CYCLIZATION OF A URACIL COMPOUND NESTEC S.A. (CH) 1986-04-08 US disclosed
US-4469698-A SEDATIVES, TRANQUILIZERS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-09-04 US disclosed
EP-0039780-A1 Di- or trisubstituted xanthines with neuroleptic activity, process for their preparation and pharmaceutical preparations containing them SOCIETE DES PRODUITS NESTLE S.A. (CH) 1981-11-18 EP disclosed