SCHEMBL17600540

SCHEMBL17600540

CCC(COCc1ccc(C2(C(F)(F)F)N=N2)cc1)(COCc1ccc(C2(C(F)(F)F)N=N2)cc1)COCc1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 2/20 0.37
ALDH1A1 P00352 2/20 0.35
TACR1 P25103 2/20 0.34
KIF11 P52732 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
ABCB1 P08183 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
DUSP3 P51452 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL20348924 0.93 GABRA1 (0.34) GABRA1GABRB2ALDH1A1TACR1KIF11
SCHEMBL17600537 0.84 KIF11 (0.41) GABRA1GABRB2ALDH1A1TACR1KIF11
SCHEMBL20348925 0.81 ALDH1A1 (0.33) GABRA1GABRB2ALDH1A1KIF11
SCHEMBL17625238 0.80 KDM4E (0.33) ALDH1A1KDM4EPOLB
SCHEMBL17642491 0.80 PTPN2 (0.41) GABRA1GABRB2ALDH1A1TACR1KIF11
SCHEMBL17629725 0.79 ALDH1A1 (0.35) GABRA1GABRB2ALDH1A1KIF11GABRG2
SCHEMBL17625653 0.79 ALDH1A1 (0.35) ALDH1A1TACR1PTPN2PTPN1PTPN6
SCHEMBL17625265 0.79 GABRA1 (0.36) GABRA1GABRB2ALDH1A1KIF11GABRG2
SCHEMBL17642496 0.78 KIF11 (0.37) GABRA1GABRB2ALDH1A1KIF11GABRG2
SCHEMBL17642475 0.77 TDP1 (0.37) GABRA1GABRB2KIF11GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US claimed
EP-3197881-A1 DIAZIRINE COMPOUNDS AS PHOTOCROSSLINKERS AND PHOTOIMAGEABLE COMPOSITIONS COMPRISING THEM Promerus, LLC (US) 2017-08-02 EP claimed
WO-2016049123-A1 DIAZIRINE COMPOUNDS AS PHOTOCROSSLINKERS AND PHOTOIMAGEABLE COMPOSITIONS COMPRISING THEM PROMERUS, LLC (US) 2016-03-31 WO claimed
US-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 US claimed
US-10303060-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2019-05-28 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
WO-2016049123-A1 DIAZIRINE COMPOUNDS AS PHOTOCROSSLINKERS AND PHOTOIMAGEABLE COMPOSITIONS COMPRISING THEM PROMERUS, LLC (US) 2016-03-31 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 (3 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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 GABRA1 1904/4885GABRB2 2144/4885ALDH1A1 24/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX GABRA1 1150/4885GABRB2 1211/4885ALDH1A1 145/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX GABRA1 1150/4885GABRB2 1211/4885ALDH1A1 145/4885

“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.