SCHEMBL13866113

SCHEMBL13866113

O=c1[nH]c2cccc([N+](=O)[O-])c2nc1-c1cccc(I)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.41
▸ CLK1 P49759 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ GUSB P08236 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CDK4 P11802 4/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK6 Q00534 2/20 0.35
▸ S100A4 P26447 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35

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
SCHEMBL13866112 0.81 GUSB (0.42) CLK1KMT2AMEN1GUSBMAPT
SCHEMBL5667203 0.76 RAB9A (0.59) KMT2AMEN1MAPTCDK4NPC1
SCHEMBL11379671 0.72 PKN1 (0.55) PKN1PKN2MGAMGAASI
SCHEMBL13865841 0.70 MGAM (0.52) MGAMGAASIMGAM2MAPT
SCHEMBL6332531 0.69 PKN1 (0.61) PKN1PKN2MGAMGAASI
SCHEMBL27920301 0.69 TDP1 (0.50) KMT2AMEN1PDE10AS100A4
SCHEMBL1013588 0.68 PKN1 (0.60) PKN1PKN2MGAMGAASI
SCHEMBL5204856 0.67 PKN1 (0.63) PKN1PKN2MGAMGAASI
SCHEMBL8663375 0.67 PKN1 (0.58) PKN1PKN2MGAMGAASI
SCHEMBL28603464 0.67 PKN1 (0.58) PKN1PKN2MGAMGAASI

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 PKN1 1028/4885PKN2 868/4885MGAM 3105/4885

“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.

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