SCHEMBL5766782

SCHEMBL5766782

COc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(CN)CC3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.62
GAK O14976 1/20 0.62
RIPK2 O43353 1/20 0.62
ULK1 O75385 1/20 0.62
STK10 O94804 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
LATS1 O95835 1/20 0.62
PAK4 O96013 1/20 0.62
NTRK1 P04629 1/20 0.62
LCK P06239 1/20 0.62
CDK1 P06493 1/20 0.62
APRT P07741 1/20 0.62
RET P07949 1/20 0.62
PDGFRB P09619 1/20 0.62
PHKG2 P15735 1/20 0.62
NQO2 P16083 1/20 0.62
PDGFRA P16234 1/20 0.62
FECH P22830 1/20 0.62
CDK2 P24941 1/20 0.62

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
SCHEMBL5764257 0.91 IRAK4 (0.61) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5764840 0.90 IRAK4 (0.62) IRAK4GAKRIPK2ULK1STK10
SCHEMBL3836778 0.90 IRAK4 (0.73) IRAK4GAKRIPK2ULK1STK10
SCHEMBL7512360 0.89 IRAK4 (0.59) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5767102 0.87 IRAK4 (0.60) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5766122 0.86 IRAK4 (0.59) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5766679 0.86 IRAK4 (0.66) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5766747 0.85 IRAK4 (0.57) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5765513 0.84 IRAK4 (0.57) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5763444 0.84 IRAK4 (0.56) IRAK4GAKRIPK2ULK1STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381614-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO¬2,3-f|QUINOXALINE WYETH CORP (US) 2006-08-02 EP claimed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US claimed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed
US-6617327-B2 For therapy of depression and other diseases such as obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-09-09 US claimed
US-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline WYETH 2002-12-05 US claimed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP claimed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO claimed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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-20020183329-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoxaline OPRD1, OPRK1, DRD2 IRAK4 3860/4885GAK 2430/4885RIPK2 3654/4885

“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.