SCHEMBL2666814

SCHEMBL2666814

Nc1nc2ccc(OCCO)nc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 10/20 0.58
▸ PI4KB Q9UBF8 10/20 0.58
▸ PIK3CA P42336 10/20 0.58
▸ PIK3CD O00329 8/20 0.58
▸ PIK3CG P48736 8/20 0.58
▸ PIK3CB P42338 7/20 0.58
▸ IKBKB O14920 2/20 0.40
▸ PIP5K1C O60331 2/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.34

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
SCHEMBL1851900 0.88 PIK3CD (0.45) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL30526584 0.83 PIK3CA (0.57) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL184566 0.81 PIK3CD (0.55) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL30526543 0.81 PIK3CD (0.55) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL10233444 0.81 HTR7 (0.46) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL3512062 0.80 PIK3CD (0.41) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL13408569 0.80 PIK3CD (0.40) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL10233535 0.79 ALDH1A1 (0.38) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL13408571 0.77 MEN1 (0.47) TSHRNPC1RAB9A
SCHEMBL10233497 0.76 PIK3CD (0.40) PI4KAPI4KBPIK3CAPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 — — US disclosed
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 — — US disclosed
US-20100099662-A1 HYDRAZONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-22 — — US disclosed
US-20100099662-A1 HYDRAZONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-22 — — US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 — — US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 — — US disclosed
EP-2105435-A1 HYDRAZONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-30 — — EP disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 — — US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 — — US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 — — US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 — — US disclosed
WO-2007007886-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-18 — — 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-20080132479-A1 Oxime Derivative and Preparations Thereof GCK, KHK, GCKR PI4KA 2267/4885PI4KB 2759/4885PIK3CA 1743/4885
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF GCK, KHK, GCKR PI4KA 2267/4885PI4KB 2759/4885PIK3CA 1743/4885
US-20100099662-A1 HYDRAZONE DERIVATIVE GCK, GCKR, HK1 PI4KA 1521/4885PI4KB 2017/4885PIK3CA 1656/4885

“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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