SCHEMBL19399243

SCHEMBL19399243

CC1(c2ccc(CCOCCc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)N=N1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
ABCB1 P08183 5/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRB2 P47870 2/20 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
SCHEMBL19399249 0.93 GABRA1 (0.33) KIF11ABCB1GABRA1GABRG2GABRB3
SCHEMBL17600538 0.91 KIF11 (0.39) KIF11ABCB1GABRA1GABRG2GABRB3
SCHEMBL19399255 0.87 PTPN2 (0.35) KIF11ABCB1GABRA1GABRG2GABRB3
SCHEMBL17625226 0.86 KCNH2 (0.36)
SCHEMBL19399244 0.85 L3MBTL1 (0.36) KIF11GABRA1GABRB2
SCHEMBL17625265 0.85 GABRA1 (0.36) KIF11ABCB1GABRA1GABRG2GABRB3
SCHEMBL17600548 0.83 KIF11 (0.36) KIF11ABCB1GABRA1GABRG2GABRB3
SCHEMBL19399251 0.83 GABRA1 (0.33) KIF11ABCB1GABRA1GABRG2GABRB3
SCHEMBL19399246 0.82 YWHAG (0.39) KIF11GABRA1GABRB2
SCHEMBL19399253 0.82 L3MBTL1 (0.35) KIF11ABCB1GABRA1GABRG2GABRB3

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 KIF11 2025/4885ABCB1 4390/4885GABRA1 1150/4885

“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.