SCHEMBL14912211

SCHEMBL14912211

CC(C)(C)c1nc(OC2CCC2)c2nnn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.68
CNR1 P21554 2/20 0.59
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL14911779 0.98 CNR2 (0.71) CNR2CNR1TSHRSMN1; SMN2
SCHEMBL14911890 0.89 CNR2 (0.61) CNR2TSHRSMN1; SMN2
SCHEMBL14911566 0.84 CNR2 (0.71) CNR2TSHRSMN1; SMN2
SCHEMBL14911796 0.84 CNR2 (0.65) CNR2CNR1TSHRSMN1; SMN2
SCHEMBL14911738 0.83 CNR2 (0.64) CNR2CNR1TSHRSMN1; SMN2
SCHEMBL17731836 0.83 CNR2 (0.96) CNR2CNR1
SCHEMBL14911630 0.83 CNR2 (0.67) CNR2TSHRSMN1; SMN2
SCHEMBL14911834 0.82 CNR2 (0.66) CNR2TSHRSMN1; SMN2
SCHEMBL14911958 0.82 CNR2 (0.66) CNR2CNR1TSHRSMN1; SMN2
SCHEMBL17731810 0.81 CNR2 (1.00) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776442-B1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 HOFFMANN LA ROCHE (CH) 2015-10-21 EP claimed
EP-2776442-A1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 EP claimed
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US claimed
WO-2013068306-A1 [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO claimed
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US claimed
EP-2776442-B1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
EP-2776442-B1 [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9056866-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-16 US disclosed
US-9056866-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-16 US disclosed
US-9056866-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-16 US disclosed
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-09-25 US disclosed
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-09-25 US disclosed
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
WO-2013068306-A1 [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed
WO-2013068306-A1 [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 US disclosed
US-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 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 (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-20130116236-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP CNR2 129/4885CNR1 98/4885TSHR 903/4885
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP CNR2 129/4885CNR1 98/4885TSHR 903/4885

“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.