SCHEMBL6318174

SCHEMBL6318174

CCOC(=O)c1sc(Nc2nc(NC)c3ncn(Cc4ccc(S(C)(=O)=O)cc4)c3n2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 1.00
PDE3A Q14432 3/20 1.00
PDE2A O00408 2/20 0.55
PDE5A O76074 2/20 0.51
YTHDC1 Q96MU7 3/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL6317366 0.92 PDE3B (0.86) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6324594 0.90 PDE3B (0.81) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6318240 0.89 PDE3B (0.80) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6322999 0.89 PDE3B (0.80) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6319661 0.88 PDE3B (0.79) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6317786 0.88 PDE3B (0.78) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6325129 0.87 PDE3B (0.77) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6317823 0.87 PDE3B (0.76) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6318575 0.86 PDE3B (0.75) PDE3BPDE3APDE2APDE5AALDH1A1
SCHEMBL6322830 0.86 PDE3B (0.75) PDE3BPDE3APDE2APDE5AALDH1A1

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-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 BRISTOL-MYERS SQUIBB COMPANY 2003-06-05 US disclosed
US-20030100571-A1 Purine inhibitors of phosphodiesterase (PDE) BRISTOL-MYERS SQUIBB COMPANY 2003-05-29 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 (2 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-20030100571-A1 Purine inhibitors of phosphodiesterase (PDE) PDE7A, PDE7B, PDE3A PDE3B 5/4885PDE3A 3/4885PDE2A 4/4885
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.