SCHEMBL6661177

SCHEMBL6661177

COc1ccc(C2=NN(Cc3ccc(NC(=O)c4cnccn4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
PDE4B Q07343 4/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TP53 P04637 2/20 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
SCHEMBL6656041 0.94 ABCG2 (0.47) CCR5NPC1RAB9APDE4BKMT2A
SCHEMBL6837280 0.92 PDE4B (0.47) CCR5NPC1RAB9APDE4BKMT2A
SCHEMBL6659876 0.91 SMN1; SMN2 (0.54) NPC1RAB9APDE4BSMN1; SMN2PDE4D
SCHEMBL6684268 0.88 LMNA (0.53) NPC1RAB9APDE4BKMT2AMEN1
SCHEMBL6844123 0.88 PDE4B (0.47) NPC1RAB9APDE4BSMN1; SMN2POLB
SCHEMBL144459 0.88 ABCB1 (0.50) NPC1RAB9APDE4BLMNASMN1; SMN2
SCHEMBL6656468 0.87 KMT2A (0.45) CCR5PDE4BKMT2AMEN1SMN1; SMN2
SCHEMBL6658472 0.86 PDE4B (0.61) CCR5NPC1RAB9APDE4BKMT2A
SCHEMBL6689550 0.86 PDE4B (0.43) NPC1RAB9APDE4BKMT2ALMNA
SCHEMBL6685859 0.86 PDE4B (0.46) NPC1PDE4BKMT2AMEN1LMNA

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 CCR5 175/4885NPC1 3307/4885RAB9A 2053/4885

“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.