SCHEMBL2201643

SCHEMBL2201643

CCOC(=O)c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 1.00
PDE4B Q07343 6/20 1.00
PDE4A P27815 4/20 0.61
PDE4C Q08493 4/20 0.61
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
MEN1 O00255 1/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
AR P10275 1/20 0.49
P2RY12 Q9H244 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL30583450 1.00 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CSLC5A1
SCHEMBL2197462 0.84 PDE4B (0.73) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL7473041 0.84 PDE4B (0.72) PDE4DPDE4BPDE4APDE4CSLC5A1
SCHEMBL6070622 0.83 PDE4D (0.76) PDE4DPDE4BALDH1A1P2RY12NPC1
SCHEMBL6070321 0.82 PDE4D (0.77) PDE4DPDE4BMEN1KMT2AALDH1A1
SCHEMBL2200071 0.82 PDE4D (0.74) PDE4DPDE4BMEN1KMT2ASMN1; SMN2
SCHEMBL6070211 0.81 PDE4D (0.73) PDE4DPDE4BSMN1; SMN2ALDH1A1P2RY12
SCHEMBL6069484 0.81 PDE4D (0.72) PDE4DPDE4BMEN1KMT2AALDH1A1
SCHEMBL6070540 0.81 PDE4D (0.72) PDE4DPDE4BALDH1A1P2RY12NPC1
SCHEMBL10317229 0.81 PDE4B (0.68) PDE4DPDE4BPDE4APDE4CSLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US claimed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US claimed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP claimed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 WO claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20110223166-A1 Methods for Preventing Pressure-Induced Apoptotic Neural-Cell Death MINAS THEODORE CORONEO (AU) 2011-09-15 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20060013814-A1 Methods for preventing pressure-induced apoptotic neural-cell death DAVIES COLLISON CAVE (AU) 2006-01-19 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4D 5/4885PDE4B 2/4885PDE4A 1/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 PDE4D 814/4885PDE4B 607/4885PDE4A 762/4885
US-20060013814-A1 Methods for preventing pressure-induced apoptotic neural-cell death BAX, CASP3, BCL2 PDE4D 2380/4885PDE4B 2188/4885PDE4A 2017/4885
US-20110223166-A1 Methods for Preventing Pressure-Induced Apoptotic Neural-Cell Death BAX, CASP3, BCL2 PDE4D 2380/4885PDE4B 2188/4885PDE4A 2017/4885

“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.