SCHEMBL19399255

SCHEMBL19399255

CC1(c2ccc(COCCOCCOCc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)N=N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
ABCB1 P08183 6/20 0.35
GABRA1 P14867 3/20 0.34
GABRB2 P47870 2/20 0.34
KIF11 P52732 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 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
SCHEMBL19399251 0.93 GABRA1 (0.33) PTPN2PTPN1PTPN6ABCB1GABRA1
SCHEMBL17625265 0.93 GABRA1 (0.36) ABCB1GABRA1GABRB2KIF11GABRG2
SCHEMBL19399249 0.92 GABRA1 (0.33) PTPN2PTPN1PTPN6ABCB1GABRA1
SCHEMBL19399253 0.92 L3MBTL1 (0.35) PTPN2PTPN1PTPN6ABCB1GABRA1
SCHEMBL17642491 0.91 PTPN2 (0.41) PTPN2PTPN1PTPN6ABCB1GABRA1
SCHEMBL19399244 0.89 L3MBTL1 (0.36) PTPN2PTPN1PTPN6GABRA1GABRB2
SCHEMBL19399243 0.87 KIF11 (0.34) ABCB1GABRA1GABRB2KIF11GABRG2
SCHEMBL17625247 0.86 NAAA (0.34) PTPN2PTPN1PTPN6
SCHEMBL20348924 0.84 GABRA1 (0.34) GABRA1GABRB2KIF11
SCHEMBL17642496 0.83 KIF11 (0.37) PTPN2PTPN1PTPN6ABCB1GABRA1

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 PTPN2 1288/4885PTPN1 1228/4885PTPN6 1310/4885

“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.