SCHEMBL6420280

SCHEMBL6420280

CCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4ccccc43)CC2C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MCL1 Q07820 1/20 0.52
KMT2A Q03164 6/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6423949 0.96 KMT2A (0.45) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6419674 0.93 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6419351 0.91 MCL1 (0.58) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6419430 0.88 MCL1 (0.61) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6421828 0.86 MCL1 (0.52) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6419337 0.85 MCL1 (0.52) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6418749 0.84 MCL1 (0.51) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6420169 0.82 MCL1 (0.42) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6420227 0.82 MCL1 (0.45) PDE4APDE4BPDE4CPDE4DMCL1
SCHEMBL6420245 0.82 MCL1 (0.49) PDE4APDE4BPDE4CPDE4DMCL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 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-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 PDE4A 1805/4885PDE4B 2480/4885PDE4C 2696/4885

“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.