SCHEMBL2919463

SCHEMBL2919463

Cc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(N)nc3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
TDO2 P48775 1/20 0.35
PDE4D Q08499 2/20 0.35
BACE1 P56817 1/20 0.34
LIMK1 P53667 2/20 0.34
PDE4B Q07343 2/20 0.34
USP7 Q93009 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K4 O95819 1/20 0.33
JAK2 O60674 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTPN11 Q06124 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL2919203 0.88 GRIN1 (0.35) DHFRADORA1ADORA2APDE4DLIMK1
SCHEMBL2920964 0.80 PDE4B (0.36) DHFRPDE4DPDE4BPDE4APDE4C
SCHEMBL13846452 0.80 PDE4A (0.36) DHFRPDE4DPDE4BPDE4APDE4C
SCHEMBL2927258 0.80 SLC6A9 (0.37) ADORA1PDE4DPDE4BKMT2ACYP3A4
SCHEMBL2918713 0.79 PIK3CD (0.39)
SCHEMBL3009648 0.79 KMT2A (0.36) PDE4DPDE4BKMT2ACYP3A4
SCHEMBL27828336 0.78 PDE4B (0.35) DHFRPDE4DPDE4BPDE4APDE4C
SCHEMBL2920192 0.78 RAB9A (0.40) DHFRADORA1ADORA2ATDO2PDE4D
SCHEMBL7915999 0.78 HCRTR1 (0.34)
SCHEMBL8069437 0.76 PDCD1 (0.38) PDE4DPDE4BPDE4APDE4C

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 21 patents — showing the first 20. 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-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-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
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
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-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
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-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
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 DHFR 1753/4885ADORA1 498/4885ADORA2A 691/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B DHFR 972/4885ADORA1 582/4885ADORA2A 667/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A DHFR 1753/4885ADORA1 498/4885ADORA2A 691/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A DHFR 1753/4885ADORA1 498/4885ADORA2A 691/4885

“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.