SCHEMBL12936366

SCHEMBL12936366

CC(=O)NS(=O)(=O)c1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HCRTR1 O43613 1/20 0.40
GAA P10253 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.37
GRM5 P41594 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2082876 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL2084142 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL2083595 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL17956181 0.82 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL12936329 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL2084805 0.81 LMNA (0.49) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL12964316 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL14864072 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL13018049 0.78 MAPT (0.53) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL2085714 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO 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.