SCHEMBL6661448

SCHEMBL6661448

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccc(Cl)nn4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
PDE4B Q07343 5/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
PDE4D Q08499 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
XBP1 P17861 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 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
SCHEMBL6654648 0.93 PDE4B (0.44) PDE4BMAPTKDM4EHSD17B10ITGB1
SCHEMBL6657820 0.87 PDE4B (0.54) ABCB1ABCG2PDE4BTHRBLMNA
SCHEMBL6659877 0.86 SMN1; SMN2 (0.52) ABCB1ABCG2FLT1KDRPDE4B
SCHEMBL6659040 0.86 PDE4B (0.47) ABCB1ABCG2FLT1KDRPDE4B
SCHEMBL6843934 0.86 FLT1 (0.42) ABCB1ABCG2FLT1KDRPDE4B
SCHEMBL6842712 0.86 FLT1 (0.41) ABCB1ABCG2FLT1KDRPDE4B
SCHEMBL6662511 0.85 PDE4B (0.49) PDE4BMAPTKDM4EHSD17B10KMT2A
SCHEMBL6656041 0.85 ABCG2 (0.47) ABCB1ABCG2FLT1KDRPDE4B
SCHEMBL6662258 0.85 FLT1 (0.45) ABCB1ABCG2FLT1KDRPDE4B
SCHEMBL6685828 0.85 LMNA (0.51) ABCB1ABCG2FLT1KDRPDE4B

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 ABCB1 1255/4885ABCG2 952/4885FLT1 2421/4885

“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.