SCHEMBL5013116

SCHEMBL5013116

CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCc5ccco5)ncnc4c23)CO1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.76
PDE4A P27815 5/20 0.76
PDE4D Q08499 5/20 0.76
ALDH1A1 P00352 5/20 0.75
KDM4E B2RXH2 4/20 0.75
HTT P42858 3/20 0.75
HIF1A Q16665 2/20 0.75
LMNA P02545 1/20 0.75
THRB P10828 1/20 0.75
HPGD P15428 3/20 0.73
ADRB2 P07550 3/20 0.73
RXFP1 Q9HBX9 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
MAPT P10636 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAD52 P43351 2/20 0.62
KMT2A Q03164 2/20 0.62

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
SCHEMBL5013135 0.92 KDM4E (0.75) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4046459 0.88 PDE4B (0.76) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL5012420 0.86 PDE4B (0.78) PDE4BPDE4APDE4DHTTLMNA
SCHEMBL5015913 0.86 PDE4B (1.00) PDE4BPDE4APDE4DHTTLMNA
SCHEMBL5013032 0.85 PDE4B (1.00) PDE4BPDE4APDE4DHTTADRB2
SCHEMBL5012337 0.84 KDM4E (1.00) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL5011655 0.84 ADRB2 (0.79) PDE4BPDE4APDE4DHTTLMNA
SCHEMBL5013033 0.83 KDM4E (0.80) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL5011400 0.83 PDE4B (1.00) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL5012419 0.83 ADRB2 (0.83) PDE4BPDE4APDE4DALDH1A1HTT

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.