SCHEMBL6325399

SCHEMBL6325399

CCn1cnc2c(NCc3ccc(OC)c(OC)c3)nc(Nc3nc(C)c(C(=O)O)s3)nc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.67
PDE3A Q14432 4/20 0.67
PDE2A O00408 2/20 0.67
PDE5A O76074 2/20 0.60
CCNK O75909 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
CDK1 P06493 4/20 0.41
CDK5 Q00535 3/20 0.41
CCNB2 O95067 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
APP P05067 2/20 0.41
ACHE P22303 2/20 0.41
CDK5R1 Q15078 2/20 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
SCHEMBL6316815 0.82 PDE3B (0.61) PDE3BPDE3APDE2APDE5ACCNK
SCHEMBL4001024 0.80 PDE3B (0.58) PDE3BPDE3APDE2APDE5AAPP
SCHEMBL6319303 0.80 PDE3B (1.00) PDE3BPDE3APDE2APDE5A
SCHEMBL6317888 0.77 PDE3B (0.78) PDE3BPDE3APDE2APDE5ACCNK
SCHEMBL6317737 0.77 PDE3B (0.45) PDE3BPDE3APDE2APDE5A
SCHEMBL6323438 0.76 PDE3B (0.90) PDE3BPDE3APDE2APDE5A
SCHEMBL6318018 0.76 PDE3B (0.87) PDE3BPDE3APDE2APDE5A
SCHEMBL6317556 0.74 PDE3B (0.61) PDE3BPDE3APDE2ACDK1
SCHEMBL5528087 0.74 PDE3B (0.75) PDE3BPDE3APDE2APDE5AAPP
SCHEMBL300168 0.72 PDE5A (0.71) PDE3BPDE3APDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
EP-1499286-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2005-01-26 EP disclosed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US disclosed
WO-2003103622-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-18 WO disclosed
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 BRISTOL-MYERS SQUIBB COMPANY 2003-06-05 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-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 PDE4A, PDE4B, PDE7B PDE3B 10/4885PDE3A 13/4885PDE2A 16/4885

“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.