SCHEMBL144579

SCHEMBL144579

COc1cc(C2=NNC(=O)SC2)ccc1OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
PDE4A P27815 11/20 0.47
PDE4C Q08493 9/20 0.47
PDE4D Q08499 9/20 0.47
PDE3A Q14432 5/20 0.47
PDE3B Q13370 4/20 0.47
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL7798497 0.86 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL145603 0.85 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL145168 0.85 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL9206368 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL145246 0.82 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL143070 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL143077 0.81 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL143950 0.79 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL6842626 0.78 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL145827 0.76 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3A

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-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 US disclosed
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 EP disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 WO disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0539806-B1 Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity MERCK PATENT GMBH (DE) 1995-01-04 EP disclosed
US-5276027-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-04 US disclosed
EP-0539806-A1 Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity MERCK PATENT GmbH (DE) 1993-05-05 EP 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 PDE4B 1040/4885PDE4A 1401/4885PDE4C 1797/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4B 4/4885PDE4A 1/4885PDE4C 5/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 PDE4B 1040/4885PDE4A 1401/4885PDE4C 1797/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4C 3/4885

“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.