SCHEMBL19743576

SCHEMBL19743576

CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3SSc3ccccn3)c2n1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.81
CNR1 P21554 13/20 0.81

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
SCHEMBL29848724 1.00 CNR2 (0.81) CNR2CNR1
SCHEMBL29848693 0.93 CNR2 (0.75) CNR2CNR1
SCHEMBL19743371 0.89 CNR2 (1.00) CNR2CNR1
SCHEMBL29848655 0.89 CNR2 (1.00) CNR2CNR1
SCHEMBL19743886 0.85 CNR2 (0.81) CNR2CNR1
SCHEMBL20952115 0.85 CNR2 (0.81) CNR2CNR1
SCHEMBL29848620 0.85 CNR2 (0.81) CNR2CNR1
SCHEMBL20968312 0.85 CNR2 (0.71) CNR2CNR1
SCHEMBL14911951 0.83 CNR2 (0.69) CNR2CNR1
SCHEMBL14911815 0.83 CNR2 (0.74) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US claimed
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP claimed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO claimed
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP disclosed
EP-4108665-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. Hoffmann-La Roche AG (CH) 2022-12-28 EP disclosed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 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 (2 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-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR CNR2, CNR1, P2RY2 CNR2 1/4885CNR1 2/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 CNR2 1/4885CNR1 2/4885

“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.