SCHEMBL2084593

SCHEMBL2084593

NS(=O)(=O)c1cccc(-c2c(-c3ccccc3)nc(C(F)(F)F)nc2N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.74
PDE4B Q07343 2/20 0.74
PDE4D Q08499 2/20 0.74
PDE4C Q08493 1/20 0.74
NEK2 P51955 2/20 0.42
KIT P10721 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL17956176 0.96 PDE4A (0.68) PDE4APDE4BPDE4DPDE4CNEK2
SCHEMBL2083641 0.95 PDE4A (0.67) PDE4APDE4BPDE4DPDE4CNEK2
SCHEMBL14134915 0.90 PDE4A (0.70) PDE4APDE4BPDE4DPDE4CKIT
SCHEMBL2084073 0.88 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CRAB9A
SCHEMBL2084678 0.88 PDE4A (0.73) PDE4APDE4BPDE4DPDE4CKIT
SCHEMBL2084543 0.86 PDE4A (0.61) PDE4APDE4BPDE4DPDE4CKIT
SCHEMBL2085258 0.85 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CKIT
SCHEMBL2084572 0.85 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CKIT
SCHEMBL2084546 0.85 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CKIT
SCHEMBL2082882 0.85 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US claimed
CN-101965338-A Novel heterocycles ORCHID RES LAB LTD 2011-02-02 CN 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
EP-2245017-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2010-11-03 EP claimed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US claimed
CN-101965338-B Heterocyclic rings ORCHID RES LAB LTD 2014-09-17 CN 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-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
CN-101965338-A Novel heterocycles ORCHID RES LAB LTD 2011-02-02 CN 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
EP-2245017-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2010-11-03 EP disclosed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 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 (3 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 8/4885PDE4D 24/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 PDE4A 4/4885PDE4B 6/4885PDE4D 21/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4D 47/4885

“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.