SCHEMBL6655596

SCHEMBL6655596

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccco4)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PDE4B Q07343 2/20 0.49
MET P08581 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
HPGD P15428 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 4/20 0.46

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
SCHEMBL6662167 0.92 TSHR (0.56) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6654814 0.88 PDE4B (0.47) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6842017 0.88 PDE4B (0.61) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6842268 0.87 PDE4B (0.46) TSHRCYP1A2CYP2C9MAPK1PDE4B
SCHEMBL6662743 0.87 TSHR (0.52) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6655224 0.87 PDE4B (0.48) CYP1A2CYP2C9PDE4BMETPDE4A
SCHEMBL7792970 0.86 CYP1A2 (0.55) TSHRCYP1A2CYP2C9MAPK1PDE4B
SCHEMBL7801804 0.86 PDE4B (0.50) TSHRCYP1A2CYP2C9MAPK1PDE4B
SCHEMBL7798666 0.86 PDE4B (0.54) TSHRCYP1A2CYP2C9MAPK1PDE4B
SCHEMBL6656287 0.86 MET (0.65) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 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 (1 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B TSHR 3270/4885CYP1A2 1911/4885CYP3A4 358/4885

“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.