SCHEMBL19399249

SCHEMBL19399249

CC1(c2ccc(COCCc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)N=N1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.33
GABRB2 P47870 2/20 0.33
KIF11 P52732 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
KCNH2 Q12809 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
ABCB1 P08183 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19399243 0.93 KIF11 (0.34) GABRA1GABRB2KIF11GABRG2GABRB3
SCHEMBL19399244 0.92 L3MBTL1 (0.36) GABRA1GABRB2KIF11PTPN2PTPN1
SCHEMBL19399255 0.92 PTPN2 (0.35) GABRA1GABRB2KIF11PTPN2PTPN1
SCHEMBL17600548 0.92 KIF11 (0.36) GABRA1GABRB2KIF11PTPN2PTPN1
SCHEMBL19399251 0.90 GABRA1 (0.33) GABRA1GABRB2KIF11PTPN2PTPN1
SCHEMBL17625265 0.90 GABRA1 (0.36) GABRA1GABRB2KIF11GABRG2GABRB3
SCHEMBL19399253 0.89 L3MBTL1 (0.35) GABRA1GABRB2KIF11PTPN2PTPN1
SCHEMBL17625231 0.87 KCNH2 (0.38) KCNH2TDP1L3MBTL1
SCHEMBL17600538 0.84 KIF11 (0.39) GABRA1GABRB2KIF11KCNH2GABRG2
SCHEMBL17600542 0.83 L3MBTL1 (0.38) GABRA1GABRB2KIF11PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-20170279048-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2017-09-28 US 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 (1 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-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX GABRA1 1150/4885GABRB2 1211/4885KIF11 2025/4885

“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.