SCHEMBL14911340

SCHEMBL14911340

CC(C)(C)c1nc(N2CC(F)(F)C(F)(F)C2)c2nnn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.73
CNR1 P21554 4/20 0.68
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL14911238 0.94 CNR2 (0.73) CNR2CNR1
SCHEMBL14911384 0.89 CNR2 (0.72) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL14911363 0.89 CNR2 (0.79) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL14911501 0.89 CNR2 (0.80) CNR2CNR1
SCHEMBL14911354 0.88 CNR2 (0.77) CNR2CNR1
SCHEMBL14911666 0.87 CNR2 (0.70) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL14911361 0.87 CNR2 (0.76) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL14911237 0.87 CNR2 (0.76) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL14911743 0.86 CNR2 (0.70) CNR2CNR1KDM4EALDH1A1LMNA
SCHEMBL14911745 0.86 CNR2 (0.70) CNR2CNR1KDM4EALDH1A1LMNA

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 18 patents. 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
US-8741906-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US 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-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
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 98/4885KDM4E 2849/4885
US-20140288046-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP CNR2 129/4885CNR1 98/4885KDM4E 2849/4885

“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.