SCHEMBL6654761

SCHEMBL6654761

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3ccco3)C(=O)OC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 2/20 0.50
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TSHR P16473 7/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 5/20 0.43

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
SCHEMBL6656003 0.89 PDE4B (0.44) NPSR1POLBPDE4APDE4BPDE4C
SCHEMBL6686322 0.88 KMT2A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6656391 0.88 PDE4B (0.62) NPSR1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL6655101 0.87 NPSR1 (0.51) NPSR1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL6661559 0.87 TSHR (0.56) NPSR1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL6962406 0.87 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6658910 0.86 SMN1; SMN2 (0.46) NPSR1GAAPDE4APDE4BPDE4C
SCHEMBL6686004 0.86 PDE4B (0.44) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL6657264 0.86 TSHR (0.51) NPSR1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL6661702 0.85 PDE4B (0.42) NPSR1CYP2C19GAAPDE4APDE4B

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 NPSR1 3604/4885POLB 897/4885CYP1A2 1911/4885

“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.