SCHEMBL4948362

SCHEMBL4948362

CCOc1cc(Cc2ccnc3nc(NCCCc4ccccc4)nc(N)c23)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
USP2 O75604 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
DHFR P00374 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4939710 0.95 ADORA2A (0.45) ADORA2ATMIGD3ADORA1DHFRHTT
SCHEMBL4945533 0.92 ADORA2A (0.45) ADORA2AADORA1DHFRHTT
SCHEMBL4946031 0.89 ADORA2A (0.51) ADORA2AUSP2ADORA1DHFRHTT
SCHEMBL4946126 0.82 ALDH1A1 (0.44) ADORA2AADORA1DHFRHTT
SCHEMBL4946832 0.81 CNR2 (0.52) ADORA2AUSP2ADORA1DHFRHTT
SCHEMBL4947050 0.81 AURKA (0.51) ADORA2AUSP2ADORA1DHFRHTT
SCHEMBL4946014 0.80 ADORA2A (0.47) ADORA2AUSP2ADORA1DHFRHTT
SCHEMBL4943901 0.76 TSHR (0.42) USP2DHFRHTT
SCHEMBL4947297 0.73 ADORA3 (0.46) ADORA2AADORA1DHFRHTT
SCHEMBL4942378 0.72 DHFR (0.48) ADORA2AADORA1DHFR

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 2 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 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 60/4885USP2 1533/4885TMIGD3 4166/4885

“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.