SCHEMBL6625411

SCHEMBL6625411

c1ncc2c3c(ccc2n1)OCCO3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 8/20 0.37
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
DYRK1A Q13627 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
EGFR P00533 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL30790437 0.86 CLK4 (0.40) CLK4ALDH1A1MEN1MAPTKMT2A
SCHEMBL4186953 0.78 ALDH1A1 (0.34) CLK4ALDH1A1MAPTHTTKMT2A
SCHEMBL28288771 0.76 EGFR (0.32) EGFR
SCHEMBL4192166 0.74 MAPT (0.52) MEN1MAPTHTTKMT2AADRA2A
SCHEMBL20482144 0.72 ADRA2A (0.33) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4341944 0.72 HTR1A (0.33) CYP3A4CYP2C19
SCHEMBL7249060 0.70 RHOA (0.32) ALDH1A1MAPTHTTADRA2AADRA2C
SCHEMBL28412569 0.69 CYP1A2 (0.37) CLK4ALDH1A1EGFRCYP1A2CYP3A4
SCHEMBL6796757 0.68 ADRA2A (0.35) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL12610928 0.67 EGFR (0.44) ALDH1A1MEN1MAPTKMT2APIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
CN-109776551-B Process for preparing dioxanoquinazoline derivatives 北京工业大学 2020-11-03 CN disclosed
CN-109776551-A Dioxanes and quinazoline derivant preparation method 北京工业大学 2019-05-21 CN disclosed
EP-1381612-A1 ANTIDEPRESSANT AZA-HETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE Wyeth (US) 2004-01-21 EP disclosed
EP-1381612-A1 ANTIDEPRESSANT AZA-HETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE Wyeth (US) 2004-01-21 EP disclosed
US-6656947-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-12-02 US disclosed
US-20020183341-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinazoline WYETH (US) 2002-12-05 US disclosed
WO-2002088129-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE WYETH (US) 2002-11-07 WO disclosed
WO-2002088129-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE WYETH (US) 2002-11-07 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 (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-20020183341-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinazoline OPRD1, OPRK1, HTR2C CLK4 4106/4885ALDH1A1 171/4885MEN1 4505/4885

“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.