SCHEMBL19743357

SCHEMBL19743357

FC(F)(F)C1(c2ccccc2CBr)N=N1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
PDK2 Q15119 9/20 0.36
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL16767609 0.76 PDK2 (0.35) PDK2
SCHEMBL19743353 0.72 PDK2 (0.43) PDK2
SCHEMBL30810728 0.69 TSHR (0.39) PDK2
SCHEMBL30810729 0.69 TSHR (0.39) PDK2
SCHEMBL17220990 0.69 KDM4E (0.40) PDK2
SCHEMBL31496708 0.68 CNR2 (0.32) CNR2PDK2
SCHEMBL4527 0.66 IDO1 (0.57)
SCHEMBL29427013 0.66 IDO1 (0.57)
SCHEMBL80368 0.66 KIF11 (0.43) PDK2GABRA1GABRG2GABRB3
SCHEMBL17220984 0.66 ALDH1A1 (0.35) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-3475280-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

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-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R CNR2 167/4885PDK2 286/4885GABRA1 1851/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP CNR2 209/4885PDK2 278/4885GABRA1 1743/4885

“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.