SCHEMBL4940417

SCHEMBL4940417

COc1cc(Cc2ccnc3nc(NCCc4ccncc4)nc(N)c23)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.45
MKNK1 Q9BUB5 4/20 0.42
MKNK2 Q9HBH9 4/20 0.42
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE6H Q13956 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2B P29275 2/20 0.39
PGK1 P00558 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4942378 0.94 DHFR (0.48) DHFRMKNK1MKNK2ADORA3ADORA2A
SCHEMBL4947297 0.93 ADORA3 (0.46) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4940377 0.89 DHFR (0.45) DHFRMKNK1MKNK2ADORA3ADORA2A
SCHEMBL4945992 0.86 ADORA2A (0.45) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946098 0.85 NPC1 (0.45) DHFRPDE6DPDE6APDE6GPDE6B
SCHEMBL4946031 0.78 ADORA2A (0.51) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946832 0.78 CNR2 (0.52) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4939710 0.73 ADORA2A (0.45) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946014 0.73 ADORA2A (0.47) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4945533 0.72 ADORA2A (0.45) DHFRADORA3ADORA2AADORA1ADORA2B

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
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP claimed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US claimed
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 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-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A DHFR 130/4885MKNK1 3579/4885MKNK2 2531/4885

“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.