SCHEMBL6685828

SCHEMBL6685828

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccncc4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FLT1 P17948 1/20 0.51
KDR P35968 1/20 0.51
NAMPT P43490 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
ABCB1 P08183 5/20 0.45
ABCG2 Q9UNQ0 5/20 0.45
PDE4B Q07343 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 1/20 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
SCHEMBL6684268 0.92 LMNA (0.53) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL145502 0.90 ABCG2 (0.56) LMNAMAPK1HTTSMN1; SMN2FLT1
SCHEMBL6662258 0.88 FLT1 (0.45) LMNAMAPK1SMN1; SMN2FLT1KDR
SCHEMBL6842307 0.88 FLT1 (0.44) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL6656041 0.87 ABCG2 (0.47) LMNASMN1; SMN2FLT1KDRMEN1
SCHEMBL6844104 0.87 FLT1 (0.43) LMNAMAPK1HTTSMN1; SMN2FLT1
SCHEMBL6659877 0.87 SMN1; SMN2 (0.52) SMN1; SMN2FLT1KDRPKMABCB1
SCHEMBL6677128 0.86 PDE4B (0.56) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL6655075 0.86 PDE4B (0.42) LMNASMN1; SMN2FLT1KDRMEN1
SCHEMBL6659758 0.86 KMT2A (0.51) LMNAMAPK1SMN1; SMN2L3MBTL1FLT1

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 LMNA 2603/4885MAPK1 1267/4885HTT 4819/4885

“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.