SCHEMBL2821749

SCHEMBL2821749

FC(F)(F)C1(c2cc[c]cc2)N=N1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
GABRB3 P28472 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
ADRA2A P08913 1/20 0.32

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
SCHEMBL28650239 0.79
SCHEMBL19866261 0.77 ADRA2A (0.35) KIF11GABRB3GABRA1GABRG2ADRA2A
SCHEMBL20336329 0.76 KIF11 (0.61) KIF11GABRB3GABRA1GABRG2ADRA2A
SCHEMBL80368 0.76 KIF11 (0.43) KIF11GABRB3GABRA1GABRG2ADRA2A
SCHEMBL23860299 0.73 KIF11 (0.45) KIF11GABRB3GABRA1GABRG2ADRA2A
SCHEMBL20261725 0.73 KIF11 (0.45) KIF11GABRB3GABRA1GABRG2ADRA2A
SCHEMBL6105719 0.73 KIF11 (0.49) KIF11GABRB3GABRA1GABRG2
SCHEMBL14655026 0.73 KIF11 (0.49) KIF11GABRB3GABRA1GABRG2ADRA2A
SCHEMBL3938311 0.71
SCHEMBL5275595 0.70 MAOB (0.39) KIF11GABRB3GABRA1GABRG2ADRA2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475283-B1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-08-11 EP claimed
EP-3475280-B1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-08 EP claimed
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US claimed
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US claimed
EP-3475283-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP claimed
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP claimed
WO-2017220516-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO claimed
WO-2017220544-A1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO claimed
US-7084285-B2 Photoaffinity-labeled sphingomyelin analogs and processes thereof DAISO CO., LTD. (JP) 2006-08-01 US claimed
US-20050182265-A1 Photoaffinity-labeled sphingomyelin analogs and processes thereof DAISO CO., LTD. (JP) 2005-08-18 US claimed
EP-3475283-B1 NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-08-11 EP disclosed
EP-3475280-B1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-08 EP 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
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 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 (6 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-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 KIF11 2747/4885GABRB3 2680/4885GABRA1 3085/4885
US-20050182265-A1 Photoaffinity-labeled sphingomyelin analogs and processes thereof SGMS1, SGMS2, SMPD1 KIF11 2322/4885GABRB3 3689/4885GABRA1 3720/4885
US-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R KIF11 1885/4885GABRB3 1919/4885GABRA1 1851/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP KIF11 2053/4885GABRB3 2454/4885GABRA1 1743/4885
US-20190127386-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R KIF11 1885/4885GABRB3 1919/4885GABRA1 1851/4885
US-10457686-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives TYMS, DPYD, TYMP KIF11 2053/4885GABRB3 2454/4885GABRA1 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.