SCHEMBL4939710

SCHEMBL4939710

COc1ccc(Cc2ccnc3nc(NCCCc4ccccc4)nc(N)c23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
DHFR P00374 1/20 0.43
HTT P42858 1/20 0.43
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
APP P05067 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
HPGD P15428 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
SCHEMBL4945533 0.97 ADORA2A (0.45) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4948362 0.95 ADORA2A (0.41) ADORA2ADHFRHTTADORA1TMIGD3
SCHEMBL4946031 0.94 ADORA2A (0.51) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4946126 0.87 ALDH1A1 (0.44) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4946832 0.86 CNR2 (0.52) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4947050 0.85 AURKA (0.51) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4946014 0.85 ADORA2A (0.47) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4943901 0.80 TSHR (0.42) DHFRHTTLMNATSHRBCHE
SCHEMBL4947297 0.76 ADORA3 (0.46) ADORA2ADHFRHTTADORA1ADORA3
SCHEMBL4942378 0.74 DHFR (0.48) ADORA2ADHFRADORA1ADORA3ADORA2B

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 ADORA2A 60/4885DHFR 130/4885HTT 4700/4885

“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.