SCHEMBL5013091

SCHEMBL5013091

CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N(CCO)CCN5CCOCC5)ncnc4c23)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 1.00
PDE4A P27815 8/20 1.00
PDE4D Q08499 8/20 1.00
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 5/20 0.65
NPSR1 Q6W5P4 3/20 0.65
LMNA P02545 1/20 0.65
HIF1A Q16665 1/20 0.65
ADRB2 P07550 3/20 0.63
MAPT P10636 2/20 0.63
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HPGD P15428 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
XBP1 P17861 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL5012465 0.95 PDE4B (0.91) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4048347 0.91 PDE4B (0.88) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047460 0.88 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4046997 0.88 PDE4B (0.83) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5011403 0.87 PDE4B (0.78) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5011477 0.86 PDE4B (0.76) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5012446 0.85 PDE4B (0.74) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5014740 0.85 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045528 0.85 PDE4B (0.94) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5245912 0.84 PDE4B (0.79) PDE4BPDE4APDE4DKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US 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-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B PDE4B 5/4885PDE4A 1/4885PDE4D 12/4885

“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.