SCHEMBL19743579

SCHEMBL19743579

O=c1nc(C(F)(F)c2ccccc2)[nH]c2c1nnn2Cc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.49
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAD51 Q06609 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL19743706 0.85 HPGD (0.40) CNR2HPGDTSHRRAD51MEN1
SCHEMBL29849086 0.83 RAD51 (0.41) CNR2HPGDTSHRRAD51MEN1
SCHEMBL19743703 0.83 RAD51 (0.41) CNR2HPGDTSHRRAD51MEN1
SCHEMBL19744182 0.79 CNR2 (0.53) CNR2HPGDTSHRRAD51KMT2A
SCHEMBL19744039 0.72 HPGD (0.40) CNR2HPGDTSHRRAD51KMT2A
SCHEMBL14911407 0.71 KMT2A (0.51) CNR2HPGDRAD51KMT2A
SCHEMBL19743700 0.70 CNR2 (0.57) CNR2RAD51KMT2A
SCHEMBL19743336 0.70 CNR2 (0.62) CNR2
SCHEMBL18494378 0.68 CNR2 (0.44) CNR2HPGDTSHRP2RX7
SCHEMBL19743343 0.67 HPGD (0.37) CNR2HPGDTSHRRAD51KMT2A

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 14 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-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-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-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US 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
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP 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
WO-2017220516-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 167/4885HPGD 1645/4885TSHR 838/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP CNR2 209/4885HPGD 1044/4885TSHR 656/4885
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R CNR2 167/4885HPGD 1645/4885TSHR 838/4885
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives TYMS, DPYD, TYMP CNR2 209/4885HPGD 1044/4885TSHR 656/4885

“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.