SCHEMBL4940377

SCHEMBL4940377

COc1cc(Cc2ccnc3nc(NCCc4cccnc4)nc(N)c23)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.45
ADORA3 P0DMS8 4/20 0.44
ADORA2A P29274 4/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2B P29275 3/20 0.44
PTGDR Q13258 2/20 0.42
OGA O60502 1/20 0.39
PIK3CD O00329 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37

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 0.90 DHFR (0.48) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4940417 0.89 DHFR (0.45) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4947297 0.88 ADORA3 (0.46) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946098 0.84 NPC1 (0.45) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4945992 0.83 ADORA2A (0.45) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946031 0.77 ADORA2A (0.51) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946014 0.74 ADORA2A (0.47) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4946832 0.73 CNR2 (0.52) DHFRADORA3ADORA2AADORA1ADORA2B
SCHEMBL4939710 0.72 ADORA2A (0.45) 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 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 DHFR 130/4885ADORA3 113/4885ADORA2A 60/4885

“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.