SCHEMBL722798

SCHEMBL722798

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)[nH]c2c1OCCCCCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.53
SRC P12931 3/20 0.41
FYN P06241 2/20 0.41
WEE2 P0C1S8 2/20 0.40
WEE1 P30291 2/20 0.40
PKMYT1 Q99640 2/20 0.40
ADRA1A P35348 2/20 0.40
STK25 O00506 1/20 0.40
CIT O14578 1/20 0.40
RIOK3 O14730 1/20 0.40
MAP2K7 O14733 1/20 0.40
CHEK1 O14757 1/20 0.40
CASK O14936 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
MAP3K13 O43283 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
NUAK1 O60285 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL729216 1.00 PDE4B (0.53) PDE4BSRCFYNWEE2WEE1
SCHEMBL730531 1.00 PDE4B (0.53) PDE4BSRCFYNWEE2WEE1
SCHEMBL730860 1.00 PDE4B (0.53) PDE4BSRCFYNWEE2WEE1
SCHEMBL728879 0.99 PDE4B (0.52) PDE4BSRCFYNWEE2WEE1
SCHEMBL729406 0.98 PDE4B (0.51) PDE4BSRCFYNWEE2WEE1
SCHEMBL729258 0.97 PDE4B (0.51) PDE4BSRCFYNWEE2WEE1
SCHEMBL730443 0.94 PDE4B (0.50) PDE4BSRCADRA1A
SCHEMBL728837 0.93 PDE4B (0.50) PDE4BSRCEGFR
SCHEMBL730436 0.92 PDE4B (0.51) PDE4BSRCFYNABL1BCR
SCHEMBL730970 0.92 PDE4B (0.51) PDE4BSRCFYNABL1BCR

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
EP-2482798-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF Alcon Research, Ltd. (US) 2012-08-08 EP claimed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP claimed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US claimed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO claimed
WO-2011041640-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 WO claimed
US-20110082145-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 US claimed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
EP-2482798-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF Alcon Research, Ltd. (US) 2012-08-08 EP disclosed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
US-20110082145-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 US disclosed
WO-2011041640-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF ALCON RESEARCH, LTD. (US) 2011-04-07 WO disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 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-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885SRC 3951/4885FYN 2070/4885
US-20110082145-A1 OLOPATADINE COMPOSITIONS AND USES THEREOF PDE4B, PDE4A, PDE4C PDE4B 1/4885SRC 4168/4885FYN 2092/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885SRC 3951/4885FYN 2070/4885

“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.