SCHEMBL2913074

SCHEMBL2913074

CC(C)(C)OC(=O)Nc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(NC(N)=O)cc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.55
CYP17A1 P05093 1/20 0.41
LCK P06239 9/20 0.39
MAPK14 Q16539 1/20 0.37
P2RX3 P56373 2/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
IKBKB O14920 1/20 0.36
CSNK1D P48730 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL2922869 0.91 PDE4D (0.42) PDE4DCYP17A1LCKCSNK1D
SCHEMBL2913418 0.89 PDE4D (0.42) PDE4DCYP17A1LCK
SCHEMBL2918739 0.86 KMT2A (0.40) PDE4DLCK
SCHEMBL13865534 0.86 PDE4D (0.54) PDE4DCYP17A1IKBKBCSNK1D
SCHEMBL2919335 0.85 LCK (0.49) LCKCSNK1D
SCHEMBL13846412 0.85 LCK (0.43) LCKCSNK1D
SCHEMBL2920914 0.85 LCK (0.43) PDE4DLCKCSNK1D
SCHEMBL2918116 0.84 PDE4D (0.60) PDE4DLCKAURKARPS6KB1IKBKB
SCHEMBL2914791 0.80 LCK (0.43) LCK
SCHEMBL2922082 0.77 PDE4D (0.47) PDE4DCYP17A1LCKMAPK14AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 US disclosed
US-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 US disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 US disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 US disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 US disclosed
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 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-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B PDE4D 4/4885CYP17A1 904/4885LCK 3021/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PDE4D 5/4885CYP17A1 1297/4885LCK 3486/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PDE4D 5/4885CYP17A1 1297/4885LCK 3486/4885

“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.