SCHEMBL70603

SCHEMBL70603

COc1cc(F)c(C(=O)Nc2cccnc2)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.60
PDE4A P27815 4/20 0.60
PDE4B Q07343 4/20 0.60
PDE4C Q08493 4/20 0.60
CYP11B2 P19099 2/20 0.57
CYP11B1 P15538 1/20 0.57
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
ABCB1 P08183 1/20 0.48

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
SCHEMBL70821 0.88 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL71861 0.87 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL71479 0.84 PDE5A (0.69) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL70857 0.84 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL70839 0.83 PDE5A (0.54) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL7334115 0.82 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL71157 0.82 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL71323 0.82 PDE4D (0.71) PDE4DPDE4APDE4BPDE4CABCB1
SCHEMBL72051 0.82 PDE4D (0.60) PDE4DPDE4APDE4BPDE4CABCB1
SCHEMBL71400 0.82 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US claimed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US claimed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US claimed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP claimed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO claimed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C PDE4D 6/4885PDE4A 1/4885PDE4B 2/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4D 7/4885PDE4A 1/4885PDE4B 2/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4D 7/4885PDE4A 1/4885PDE4B 2/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4D 7/4885PDE4A 1/4885PDE4B 2/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4D 7/4885PDE4A 1/4885PDE4B 2/4885

“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.