SCHEMBL4946014

SCHEMBL4946014

COc1ccc(Cc2ccnc3nc(NCCc4cccc(F)c4)nc(N)c23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
USP2 O75604 1/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL4946832 0.91 CNR2 (0.52) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4946031 0.90 ADORA2A (0.51) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4947050 0.87 AURKA (0.51) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4939710 0.85 ADORA2A (0.45) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4945533 0.84 ADORA2A (0.45) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4946126 0.81 ALDH1A1 (0.44) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4948362 0.80 ADORA2A (0.41) ADORA2AADORA1USP2DHFRHTT
SCHEMBL4943901 0.78 TSHR (0.42) TSHRLMNAUSP2MAPTCYP1A2
SCHEMBL4942378 0.76 DHFR (0.48) ADORA2ATSHRLMNAADORA3ADORA2B
SCHEMBL4947297 0.76 ADORA3 (0.46) ADORA2AADORA3ADORA2BADORA1MAPT

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 60/4885TSHR 3198/4885LMNA 2413/4885

“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.