SCHEMBL4001024

SCHEMBL4001024

COc1ccc(CNc2nc(Nc3nc(C)c(C(=O)O)s3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
PDE2A O00408 1/20 0.58
ACHE P22303 10/20 0.54
APP P05067 6/20 0.54
PDE5A O76074 2/20 0.52
BCHE P06276 5/20 0.51
ABCG2 Q9UNQ0 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44

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
SCHEMBL3997049 0.91 ACHE (0.55) PDE3BPDE3APDE2AACHEAPP
SCHEMBL3995364 0.91 PDE3B (0.49) PDE3BPDE3APDE2AACHEAPP
SCHEMBL4004387 0.90 PDE3B (0.48) PDE3BPDE3APDE2AACHEAPP
SCHEMBL3998126 0.89 PDE3B (0.48) PDE3BPDE3APDE2AACHEAPP
SCHEMBL4000391 0.88 PDE3B (0.54) PDE3BPDE3APDE2AACHEAPP
SCHEMBL4003302 0.87 PGK1 (0.48) PDE3BPDE3APDE2AACHEAPP
SCHEMBL3999059 0.86 PDE3B (0.46) PDE3BPDE3APDE2AACHEAPP
SCHEMBL3997921 0.85 ABCG2 (0.64) PDE3BPDE3APDE2AABCG2MEN1
SCHEMBL3994293 0.84 PGK1 (0.48) PDE3BPDE3APDE2AACHEAPP
SCHEMBL4003807 0.82 PDE5A (0.52) PDE3BPDE3APDE2AACHEAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022849-B2 Quinazoline and pyrido[2,3-d]pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 US claimed
US-7601836-B2 Pyrido[2,3-D]pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20060116516-A1 Quinazoline and pyrido[2,3-d]pyrimidine inhibitors of phosphodiesterase (PDE) 7 PITTS WILLIAM J 2006-06-01 US disclosed
US-7022849-B2 Quinazoline and pyrido[2,3-d]pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 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-20060116516-A1 Quinazoline and pyrido[2,3-d]pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE3A, PDE3B, PDE2A PDE3B 2/4885PDE3A 1/4885PDE2A 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.