SCHEMBL3705028

SCHEMBL3705028

CC(C)(C)OC(=O)CCNCCON

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.34
MLYCD O95822 1/20 0.33
LTA4H P09960 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 2/20 0.31
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL3485766 0.87 EPHX2 (0.40) MAOAMAOBEPHX2MLYCDTDP1
SCHEMBL3624896 0.84 KDM4E (0.37) EPHX2MLYCDLTA4HTDP1DGAT1
SCHEMBL5179584 0.81 MAOA (0.39) MAOAMAOBEPHX2MLYCDTDP1
SCHEMBL16086144 0.80 MLYCD (0.36) EPHX2MLYCDLTA4H
SCHEMBL9201782 0.79 TSHR (0.38) MAOAMAOBEPHX2MLYCDLTA4H
SCHEMBL6191373 0.79 TDP1 (0.42) MAOAMAOBEPHX2MLYCDTDP1
SCHEMBL948359 0.79 PAOX (0.38) MAOAMAOBEPHX2MLYCDTDP1
SCHEMBL19478676 0.78 KDM4E (0.36) EPHX2MLYCDLTA4HTDP1DGAT1
SCHEMBL17401062 0.78 KDM4E (0.36) EPHX2MLYCDLTA4HTDP1DGAT1
SCHEMBL10250750 0.78 EPHX2 (0.35) MAOAMAOBEPHX2MLYCDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1854789-A1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2007-11-14 EP 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 MAOA 883/4885MAOB 781/4885EPHX2 4292/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 MAOA 883/4885MAOB 781/4885EPHX2 4292/4885

“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.