SCHEMBL6844104

SCHEMBL6844104

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4cnco4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
PDE4B Q07343 10/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCB1 P08183 3/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
LMNA P02545 1/20 0.39
PDE4D Q08499 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6658700 0.93 PDE4B (0.44) PDE4BTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6656645 0.88 PDE4B (0.56) PDE4BLMNAPDE4DPDE4APDE4C
SCHEMBL6662743 0.88 TSHR (0.52) PDE4BTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6654814 0.87 PDE4B (0.47) FLT1KDRPDE4BTSHRCYP1A2
SCHEMBL6685828 0.87 LMNA (0.51) FLT1KDRPDE4BMAPK1ABCB1
SCHEMBL6842307 0.86 FLT1 (0.44) FLT1KDRPDE4BTSHRMAPK1
SCHEMBL145502 0.86 ABCG2 (0.56) FLT1KDRPDE4BMAPK1ABCB1
SCHEMBL6656041 0.86 ABCG2 (0.47) FLT1KDRPDE4BABCB1ABCG2
SCHEMBL6653049 0.85 PDE4B (0.48) PDE4BTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6662258 0.85 FLT1 (0.45) FLT1KDRPDE4BMAPK1ABCB1

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.