SCHEMBL6401408

SCHEMBL6401408

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)Cc3ccccn3)oc(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
ELANE P08246 1/20 0.54
TDP2 O95551 1/20 0.36
TSHR P16473 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
P2RX7 Q99572 1/20 0.33
METAP1 P53582 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL6637376 0.91 CTRB1 (0.49) CTRB1ELANETDP2TSHREGFR
SCHEMBL6637372 0.88 ELANE (0.53) CTRB1ELANETDP2TSHREGFR
SCHEMBL6635009 0.88 ELANE (0.49) CTRB1ELANETDP2TSHREGFR
SCHEMBL6401805 0.88 CTRB1 (0.60) CTRB1ELANEP2RX7
SCHEMBL6641385 0.87 CTRB1 (0.49) CTRB1ELANEKMT2AMEN1POLB
SCHEMBL6637042 0.87 CTRB1 (0.49) CTRB1ELANETDP2KMT2AMEN1
SCHEMBL6639608 0.87 CTRB1 (0.53) CTRB1ELANETDP2EGFRERBB2
SCHEMBL6641432 0.87 CTRB1 (0.48) CTRB1ELANETDP2KMT2AMEN1
SCHEMBL6637014 0.86 CTRB1 (0.48) CTRB1ELANETSHRKMT2AMEN1
SCHEMBL6639603 0.85 CTRB1 (0.50) CTRB1ELANETDP2TSHRP2RX7

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 3 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-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

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-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 CTRB1 3288/4885ELANE 1052/4885TDP2 522/4885

“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.