SCHEMBL6842712

SCHEMBL6842712

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4c[nH]cn4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
PDE4B Q07343 5/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCB1 P08183 3/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
CFTR P13569 5/20 0.39
LMNA P02545 1/20 0.38
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL6689550 0.94 PDE4B (0.43) PDE4BMAPTKDM4EHSD17B10THRB
SCHEMBL6843934 0.88 FLT1 (0.42) FLT1KDRPDE4BMAPTKDM4E
SCHEMBL6659877 0.88 SMN1; SMN2 (0.52) FLT1KDRPDE4BMAPTKDM4E
SCHEMBL6682532 0.87 PDE4B (0.54) PDE4BTHRBLMNAPDE4DPDE4A
SCHEMBL6656041 0.87 ABCG2 (0.47) FLT1KDRPDE4BABCB1ABCG2
SCHEMBL6841568 0.86 PDE4B (0.45) FLT1KDRPDE4BMAPTKDM4E
SCHEMBL6662258 0.86 FLT1 (0.45) FLT1KDRPDE4BMAPTKDM4E
SCHEMBL6842638 0.86 PDE4B (0.47) PDE4BMAPTKDM4EHSD17B10THRB
SCHEMBL6661448 0.86 ABCB1 (0.41) FLT1KDRPDE4BMAPTKDM4E
SCHEMBL6685828 0.85 LMNA (0.51) FLT1KDRPDE4BMAPTHSD17B10

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 4 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-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 FLT1 2421/4885KDR 1769/4885PDE4B 4/4885

“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.