SCHEMBL3997507

SCHEMBL3997507

COc1cc2c(cc1OC)CN(c1nc(Nc3nc(C)c(C(=O)O)s3)nc3cc(OC)c(OC)cc13)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PDE5A O76074 4/20 0.42
ALDH1A1 P00352 8/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
RAD52 P43351 1/20 0.38
CHEK1 O14757 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL300054 0.82 PDE5A (0.52) ADRA1DADRA1AADRA1BPDE5AALDH1A1
SCHEMBL6318859 0.74 PDE3B (0.62) PDE5AALDH1A1MAPTGAALMNA
SCHEMBL6319710 0.73 PDE3B (0.51) PDE5AALDH1A1MAPTGAALMNA
SCHEMBL3998907 0.73 ABCG2 (0.50) ALDH1A1TSHRMAPTLMNAHIF1A
SCHEMBL3997921 0.73 ABCG2 (0.64) ALDH1A1TSHRKMT2AMEN1HPGD
Formic Acid SCHEMBL4761941 0.73 ADRA1D (0.48) ADRA1DADRA1AADRA1BPDE5AALDH1A1
SCHEMBL29832159 0.72 PDE5A (0.65) PDE5AALDH1A1MAPTGAALMNA
SCHEMBL6068421 0.72 PDE5A (0.65) PDE5AALDH1A1MAPTGAALMNA
SCHEMBL299899 0.71 PDE5A (0.47) PDE5AALDH1A1TSHRMAPTLMNA
SCHEMBL9132869 0.71 SMN1; SMN2 (0.69) ADRA1DADRA1AADRA1BALDH1A1MAPT

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-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 ADRA1D 400/4885ADRA1A 1236/4885ADRA1B 1485/4885

“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.