SCHEMBL6133689

SCHEMBL6133689

COc1ccc(CC(=O)c2ccc(OC)c(OC)c2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.54
TSHR P16473 3/20 0.51
CTNNB1 P35222 3/20 0.51
WNT3A P56704 3/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL6134224 0.88 HTT (0.52) PDE4DTSHRCTNNB1WNT3AMAPT
SCHEMBL6134073 0.83 PDE4D (0.45) PDE4DTSHRALDH1A1GAASMN1; SMN2
SCHEMBL6135277 0.82 CES2 (0.41) PDE4DMAPTNPC1LMNAHTT
SCHEMBL6133543 0.81 NPC1 (0.54) MAPTNPC1LMNAHTTCA1
SCHEMBL5799347 0.81 NPC1 (0.48) TSHRCTNNB1WNT3AMAPTNPC1
SCHEMBL6133870 0.79 GSK3B (0.43) MAPTNPC1LMNAHTTKMT2A
SCHEMBL6133460 0.79 NPC1 (0.50) MAPTNPC1LMNAHTTKMT2A
SCHEMBL6134151 0.79 NNMT (0.45) TSHRMAPTCYP3A4NPC1LMNA
SCHEMBL6134053 0.79 CES2 (0.51) TSHRCTNNB1WNT3AMAPTNPC1
SCHEMBL6134193 0.79 CTNNB1 (0.50) CTNNB1WNT3AMAPTNPC1LMNA

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 PDE4D 926/4885TSHR 1977/4885CTNNB1 419/4885

“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.