SCHEMBL8069437

SCHEMBL8069437

Cc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(N4CC[C@@H]4C(=O)O)nc3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
SYK P43405 2/20 0.36
HCRTR1 O43613 12/20 0.36
HCRTR2 O43614 12/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CHRM3 P20309 2/20 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
SCHEMBL8081886 1.00 PDCD1 (0.38) PDCD1CD274SYKHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2919569 0.99 PDCD1 (0.37) PDCD1CD274SYKHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2912614 0.99 PDCD1 (0.37) PDCD1CD274SYKHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2912612 0.99 PDCD1 (0.37) PDCD1CD274SYKHCRTR1HCRTR2
SCHEMBL7915999 0.87 HCRTR1 (0.34) HCRTR1HCRTR2CHRM3
SCHEMBL3377163 0.82 SYK (0.36) PDCD1CD274SYKHCRTR1HCRTR2
SCHEMBL8027521 0.81 PDE4D (0.52) CD274HCRTR1HCRTR2PDE4BPDE4D
Acetic Acid SCHEMBL3466976 0.80 PDE4D (0.50) CD274HCRTR1HCRTR2PDE4BPDE4D
SCHEMBL3466400 0.76 PDE4D (0.50) PDCD1CD274HCRTR1HCRTR2PDE4B
SCHEMBL3466397 0.76 PDE4D (0.50) PDCD1CD274HCRTR1HCRTR2PDE4B

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 12 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
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
US-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 US disclosed
US-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR 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 (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-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PDCD1 852/4885CD274 1658/4885SYK 1271/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B PDCD1 1270/4885CD274 1971/4885SYK 881/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PDCD1 852/4885CD274 1658/4885SYK 1271/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A PDCD1 852/4885CD274 1658/4885SYK 1271/4885

“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.