SCHEMBL6401804

SCHEMBL6401804

C=CCN(C)c1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.54
CTRB1 P17538 2/20 0.54
LCK P06239 2/20 0.33
P2RX7 Q99572 1/20 0.32
P2RX3 P56373 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PSMB8 P28062 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
CYP17A1 P05093 1/20 0.30
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6401805 0.84 CTRB1 (0.60) ELANECTRB1P2RX7ATM
SCHEMBL6402809 0.83 CTRB1 (0.51) ELANECTRB1LCKP2RX7P2RX3
SCHEMBL6400204 0.82 ELANE (0.65) ELANECTRB1LCKP2RX7CA12
SCHEMBL6398072 0.82 CTRB1 (0.51) ELANECTRB1
SCHEMBL6401408 0.81 CTRB1 (0.54) ELANECTRB1P2RX7CKS1BSKP1
SCHEMBL6500227 0.80 CTRB1 (0.59) ELANECTRB1LCKP2RX7
SCHEMBL6637522 0.78 CTRB1 (0.47) ELANECTRB1CA1CYP17A1POLB
SCHEMBL6637260 0.77 CTRB1 (0.46) ELANECTRB1CYP17A1
SCHEMBL6404387 0.77 CTRB1 (0.49) ELANECTRB1POLB
SCHEMBL6637376 0.76 CTRB1 (0.49) ELANECTRB1CKS1BSKP1SKP2

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-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 US claimed
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 US disclosed
US-6686463-B2 FEWER SYNTHETIC STEPS; INVOLVES FORMATION OF A 5',4'-BRIDGING SILYL PROTECTING GROUP TO FORM A FUSED SILOXANE ON THE FURAN RING SIRNA THERAPEUTICS, INC. 2004-02-03 US disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 US disclosed
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-08-29 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 (4 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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ELANE 4540/4885CTRB1 4550/4885LCK 3339/4885
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ELANE 4631/4885CTRB1 4532/4885LCK 3170/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ELANE 4524/4885CTRB1 4622/4885LCK 2936/4885
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 ELANE 1052/4885CTRB1 3288/4885LCK 3708/4885

“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.