SCHEMBL2084618

SCHEMBL2084618

NS(=O)(=O)c1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.63
PDE4B Q07343 1/20 0.63
PDE4C Q08493 1/20 0.63
PDE4D Q08499 1/20 0.63
SCN10A Q9Y5Y9 5/20 0.41
HRH3 Q9Y5N1 5/20 0.39
LRRK2 Q5S007 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
KIT P10721 1/20 0.36
CSNK1E P49674 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL2083641 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSCN10A
SCHEMBL12964294 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL2085857 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DSCN10A
SCHEMBL2083650 0.85 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DLRRK2
SCHEMBL2084625 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL2083722 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DSCN10A
SCHEMBL2082824 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DSCN10A
SCHEMBL2084336 0.84 PDE4A (0.88) PDE4APDE4BPDE4CPDE4DSCN10A
SCHEMBL17956175 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSCN10A
SCHEMBL2084543 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP claimed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US claimed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US claimed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US claimed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US claimed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US claimed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US disclosed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US 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 (4 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A PDE4A 3/4885PDE4B 8/4885PDE4C 29/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 PDE4A 4/4885PDE4B 6/4885PDE4C 23/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 PDE4A 3070/4885PDE4B 3237/4885PDE4C 3411/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4C 43/4885

“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.