SCHEMBL6068237

SCHEMBL6068237

CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)nc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.77
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
PDE2A O00408 1/20 0.54
GALR2 O43603 1/20 0.47
GALR1 P47211 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.43
TLR9 Q9NR96 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL29408482 0.89 PDE5A (0.85) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28567178 0.89 PDE5A (0.85) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL29408509 0.87 PDE5A (1.00) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL29831637 0.87 PDE5A (0.84) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28564661 0.87 PDE5A (1.00) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068495 0.87 PDE5A (0.84) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068414 0.85 PDE5A (0.79) PDE5APDE3BPDE3APDE2AALDH1A1
Trifluoroacetic Acid SCHEMBL2679834 0.84 PDE5A (0.91) PDE5APDE3BPDE3APDE2AGALR2
Trifluoroacetic Acid SCHEMBL29408546 0.84 PDE5A (0.91) PDE5APDE3BPDE3APDE2AGALR2
SCHEMBL29408508 0.82 PDE5A (0.74) PDE5APDE3BPDE3APDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 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-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A PDE5A 5/4885PDE3B 6/4885PDE3A 3/4885

“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.