SCHEMBL6134714

SCHEMBL6134714

COc1cccc(OC)c1-c1nc(N)ncc1-c1ccc(=O)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
ADORA1 P30542 4/20 0.41
ADORA2A P29274 3/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
LMNA P02545 4/20 0.39
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 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
SCHEMBL6134067 0.88 ADORA2A (0.49) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL6134600 0.85 FGFR1 (0.42) ADORA1ADORA2APDE3BPDE3ALMNA
SCHEMBL6133404 0.82 CYP1A2 (0.37) ADORA1ADORA2ALMNAKMT2ACYP1A2
SCHEMBL6133893 0.82 FGFR1 (0.43) ADORA1ADORA2ADYRK1ACYP1A2MAPK1
SCHEMBL6133656 0.82 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL6134308 0.81 ADORA2A (0.61) ADORA1ADORA2ALMNAKMT2ASMN1; SMN2
SCHEMBL6133724 0.80 KMT2A (0.64) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL6133660 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL6134762 0.78 ADORA1 (0.43) ADORA1ADORA2ALMNANFATC1GSK3B
SCHEMBL6133302 0.78 CYP1A2 (0.54) ADORA1ADORA2AKMT2ACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 PDE4A 734/4885PDE4B 790/4885PDE4C 976/4885

“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.