SCHEMBL4945992

SCHEMBL4945992

COc1cc(Cc2ccnc3nc(NCCc4cccs4)nc(N)c23)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.45
ADORA1 P30542 11/20 0.45
ADORA3 P0DMS8 10/20 0.45
ADORA2B P29275 9/20 0.45
DHFR P00374 4/20 0.42
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CLK4 Q9HAZ1 1/20 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 0.88 DHFR (0.48) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4940417 0.86 DHFR (0.45) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4947297 0.85 ADORA3 (0.46) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4946098 0.83 NPC1 (0.45) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4940377 0.83 DHFR (0.45) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4946031 0.73 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4946832 0.70 CNR2 (0.52) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4947050 0.70 AURKA (0.51) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4946126 0.70 ALDH1A1 (0.44) ADORA2AADORA1ADORA3ADORA2BDHFR
SCHEMBL4939710 0.70 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BDHFR

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 60/4885ADORA1 134/4885ADORA3 113/4885

“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.