SCHEMBL16211705

SCHEMBL16211705

Fc1nc(N2CC3(COC3)C2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.45
FLT3 P36888 5/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APEX1 P27695 1/20 0.41
PI4KA P42356 1/20 0.41
BLM P54132 1/20 0.41
ADCY1 Q08828 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL20171893 0.85 FLT3 (0.56) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL22833939 0.78 YTHDC1 (0.55) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL9885008 0.77 YTHDC1 (0.57) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL29878593 0.76 YTHDC1 (0.59) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL566733 0.76 TP53 (0.61) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL935632 0.76 YTHDC1 (0.59) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL31373063 0.72 YTHDC1 (0.62) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL1113912 0.72 YTHDC1 (0.62) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL16211640 0.71 YTHDC1 (0.56) YTHDC1FLT3CYP2C19MEN1ALDH1A1
SCHEMBL21967407 0.71 FLT3 (0.53) YTHDC1FLT3CYP2C19MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991987-B1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
EP-2991987-B1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
US-9505762-B2 Purine derivatives as CB2 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2016-11-29 US disclosed
EP-2991987-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
US-20160046631-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS HOFFMANN-LA ROCHE INC. (US) 2016-02-18 US disclosed
WO-2014177490-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
WO-2014177490-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO 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-20160046631-A1 PURINE DERIVATIVES AS CB2 RECEPTOR AGONISTS CNR1, CNR2, P2RY1 YTHDC1 2986/4885FLT3 738/4885CYP2C19 528/4885

“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.