SCHEMBL4946031

SCHEMBL4946031

COc1ccc(Cc2ccnc3nc(NCCc4ccccc4)nc(N)c23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
APP P05067 5/20 0.46
ACHE P22303 4/20 0.46
BCHE P06276 3/20 0.46
DHFR P00374 1/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.44
TP53 P04637 1/20 0.43

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 0.94 ADORA2A (0.45) ADORA2ALMNATSHRADORA3ADORA2B
SCHEMBL4945533 0.94 ADORA2A (0.45) ADORA2ALMNATSHRADORA3ADORA2B
SCHEMBL4946832 0.91 CNR2 (0.52) ADORA2ALMNATSHRADORA3ADORA2B
SCHEMBL4946014 0.90 ADORA2A (0.47) ADORA2ALMNATSHRADORA3ADORA2B
SCHEMBL4948362 0.89 ADORA2A (0.41) ADORA2AADORA1DHFRHTTUSP2
SCHEMBL4947050 0.89 AURKA (0.51) ADORA2ALMNATSHRADORA3ADORA2B
SCHEMBL4946126 0.89 ALDH1A1 (0.44) ADORA2ALMNATSHRADORA3ADORA2B
SCHEMBL4943901 0.81 TSHR (0.42) LMNATSHRACHEBCHEDHFR
SCHEMBL4947297 0.81 ADORA3 (0.46) ADORA2AADORA3ADORA2BADORA1APP
SCHEMBL4942378 0.80 DHFR (0.48) ADORA2ALMNATSHRADORA3ADORA2B

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
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
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 60/4885LMNA 2413/4885TSHR 3198/4885

“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.