SCHEMBL19743352

SCHEMBL19743352

COc1ccc(Cn2nnc3c(Cl)nc(C(F)(F)c4ccccc4)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.48
PDE8B O95263 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD51 Q06609 1/20 0.42
CNR1 P21554 2/20 0.42

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
SCHEMBL14911943 0.83 CNR2 (0.60) CNR2PDE8BCNR1
SCHEMBL19744224 0.80 CNR2 (0.71) CNR2CNR1
SCHEMBL19744187 0.80 CNR2 (0.70) CNR2CNR1
SCHEMBL19744189 0.80 CNR2 (0.70) CNR2CNR1
SCHEMBL19743336 0.79 CNR2 (0.62) CNR2CNR1
SCHEMBL19744137 0.78 CNR2 (0.51) CNR2CNR1
SCHEMBL1070489 0.78 PDE8B (0.57) CNR2PDE8BADORA3HPGDALDH1A1
SCHEMBL19743555 0.78 CNR2 (0.65) CNR2CNR1
SCHEMBL19743330 0.76 CNR2 (0.64) CNR2CNR1
SCHEMBL3392762 0.76 PDE8B (0.63) CNR2PDE8BADORA3HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415366-B [1,2,3] triazolo [4,5-d ] pyrimidine derivatives 豪夫迈·罗氏有限公司 2022-02-22 CN disclosed
EP-3475283-B1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-08-11 EP disclosed
CN-109311895-B Novel [1,2,3] triazolo [4,5-d ] pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
EP-3475280-B1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-08 EP disclosed
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
EP-3475283-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220516-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO disclosed
WO-2017220544-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES 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 (4 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-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R CNR2 167/4885PDE8B 1812/4885ADORA3 21/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP CNR2 209/4885PDE8B 2717/4885ADORA3 19/4885
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R CNR2 167/4885PDE8B 1812/4885ADORA3 21/4885
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives TYMS, DPYD, TYMP CNR2 209/4885PDE8B 2717/4885ADORA3 19/4885

“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.