SCHEMBL6657341

SCHEMBL6657341

CCOc1ccc(C2=NN(C(NC(=O)c3ccncc3)c3ccccc3)C(=O)SC2CC)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
NOX1 Q9Y5S8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LIPG Q9Y5X9 1/20 0.36
CHEK1 O14757 1/20 0.35
RPS6KA5 O75582 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL6837197 0.97 MAPT (0.38) KMT2AMAPTMEN1NPSR1POLB
SCHEMBL6655985 0.95 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6841793 0.95 PDE4A (0.37) KMT2AMAPTMEN1NPSR1POLB
SCHEMBL6842547 0.93 PDE4A (0.37) MAPTNPSR1LMNAPDE4APDE4B
SCHEMBL6841598 0.91 NOX1 (0.39) MAPTNPSR1POLBPDE4APDE4B
SCHEMBL6844107 0.91 ROCK2 (0.38) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6842572 0.90 PDE4B (0.36) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6843888 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6841911 0.89 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL6841960 0.88 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D

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 KMT2A 3056/4885MAPT 3595/4885MEN1 370/4885

“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.