SCHEMBL12068931

SCHEMBL12068931

COc1ccc(-c2nc3nc(N)nc(O)c3nc2-c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.50
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3C2B O00750 1/20 0.46
▸ PDXK O00764 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ PIP5K1C O60331 1/20 0.46
▸ STK16 O75716 1/20 0.46
▸ PIK3C2G O75747 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ OXSR1 O95747 1/20 0.46
▸ LATS1 O95835 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ BRAF P15056 1/20 0.46

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
SCHEMBL14983452 0.91 PIK3CG (0.56) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL12067539 0.82 DHFR (0.56) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL14983451 0.80 PIK3CG (0.76) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL14983465 0.80 PIK3CG (0.47) PIK3CGPIK3CDGAKABL1EGFR
SCHEMBL14325117 0.77 PIK3CG (0.78) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL14983450 0.76 PIK3CG (0.76) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL12198179 0.74 PIK3CG (0.78) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL14983458 0.74 ADORA1 (0.55) JAK1TYK2L3MBTL1KDM4EHSD17B10
SCHEMBL12954844 0.73 PIK3CG (0.70) PIK3CGJAK1TYK2PIK3CDPIK3C2B
SCHEMBL4411134 0.73 NOS1 (0.55) PIK3CGJAK1TYK2GAKPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 — — US disclosed
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 — — US disclosed
US-9139592-B2 Modulators of Nrf2 and uses thereof TRT PHARMA INC. (CA) 2015-09-22 — — US disclosed
US-9139592-B2 Modulators of Nrf2 and uses thereof TRT PHARMA INC. (CA) 2015-09-22 — — US disclosed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 — — US disclosed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 — — US disclosed
WO-2011156889-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2011-12-22 — — 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 (2 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-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 PIK3CG 3893/4885JAK1 3676/4885TYK2 3389/4885
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 PIK3CG 3893/4885JAK1 3676/4885TYK2 3389/4885

“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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