SCHEMBL4947050

SCHEMBL4947050

COc1ccc(Cc2ccnc3nc(NCCc4ccccc4F)nc(N)c23)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
DHFR P00374 1/20 0.44
HTT P42858 1/20 0.44
ADORA2A P29274 2/20 0.44
TSHR P16473 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL4946031 0.89 ADORA2A (0.51) DHFRHTTADORA2ATSHRADORA3
SCHEMBL4946832 0.88 CNR2 (0.52) DHFRHTTADORA2ATSHRADORA3
SCHEMBL4946014 0.87 ADORA2A (0.47) DHFRHTTADORA2ATSHRADORA3
SCHEMBL4939710 0.85 ADORA2A (0.45) DHFRHTTADORA2ATSHRADORA3
SCHEMBL4945533 0.85 ADORA2A (0.45) DHFRHTTADORA2ATSHRADORA3
SCHEMBL4946126 0.84 ALDH1A1 (0.44) DHFRHTTADORA2ATSHRADORA3
SCHEMBL4943901 0.82 TSHR (0.42) DHFRHTTTSHRLMNAMAPT
SCHEMBL4948362 0.81 ADORA2A (0.41) DHFRHTTADORA2AADORA1USP2
SCHEMBL4947297 0.76 ADORA3 (0.46) DHFRHTTADORA2AADORA3ADORA2B
SCHEMBL4942378 0.75 DHFR (0.48) DHFRADORA2ATSHRADORA3ADORA2B

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 AURKA 1382/4885DHFR 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.