SCHEMBL19743949

SCHEMBL19743949

CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CSSCCN)c2n1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.88
CNR1 P21554 13/20 0.88

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
SCHEMBL19744013 0.94 CNR2 (1.00) CNR2CNR1
SCHEMBL19743668 0.92 CNR2 (1.00) CNR2CNR1
SCHEMBL20952434 0.90 CNR2 (0.88) CNR2CNR1
SCHEMBL20952115 0.90 CNR2 (0.81) CNR2CNR1
SCHEMBL20968310 0.86 CNR2 (0.75) CNR2CNR1
SCHEMBL19743955 0.85 CNR2 (1.00) CNR2CNR1
SCHEMBL20951897 0.85 CNR2 (0.78) CNR2CNR1
SCHEMBL29848693 0.84 CNR2 (0.75) CNR2CNR1
SCHEMBL19743575 0.83 CNR2 (1.00) CNR2CNR1
SCHEMBL20952213 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 9 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-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.