SCHEMBL6656041

SCHEMBL6656041

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4cnccn4)cc3)C(=O)OC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CCR5 P51681 6/20 0.45
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
PDE4B Q07343 1/20 0.42
ABCB1 P08183 3/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6661177 0.94 CCR5 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL6659877 0.91 SMN1; SMN2 (0.52) ABCG2NPC1RAB9ASMN1; SMN2FLT1
SCHEMBL145502 0.88 ABCG2 (0.56) ABCG2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6655492 0.87 PDE4B (0.53) ABCG2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6662258 0.87 FLT1 (0.45) ABCG2NPC1RAB9ASMN1; SMN2FLT1
SCHEMBL6685828 0.87 LMNA (0.51) ABCG2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6654591 0.87 ABCG2 (0.48) ABCG2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6842712 0.87 FLT1 (0.41) ABCG2FLT1KDRKMT2ALMNA
SCHEMBL6837280 0.86 PDE4B (0.47) NPC1RAB9ASMN1; SMN2CCR5KMT2A
SCHEMBL6843934 0.86 FLT1 (0.42) ABCG2ALDH1A1FLT1KDRKMT2A

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 ABCG2 952/4885NPC1 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.