SCHEMBL6959729

SCHEMBL6959729

CC#C/C(=N\OCCNC1CCN(C(C)=O)CC1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.37
EPHX1 P07099 4/20 0.35
OPRL1 P41146 3/20 0.34
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
ADAM17 P78536 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
SCHEMBL6958096 0.86 KDM4E (0.31) KDM4E
SCHEMBL6958352 0.85 MEN1 (0.35)
SCHEMBL6958466 0.83 TP53 (0.37) EPHX2EPHX1OPRL1
SCHEMBL6959594 0.83 KDM4E (0.37) KDM4E
SCHEMBL6979252 0.81 EPHX2 (0.42) EPHX2EPHX1OPRL1MAPTKDM4E
SCHEMBL6961257 0.78 PIK3CD (0.41) KDM4EDRD3
SCHEMBL6960555 0.74 LTA4H (0.43) DRD2DRD3
SCHEMBL23640028 0.72 EPHX2 (0.46) EPHX2EPHX1OPRL1MAPTKDM4E
SCHEMBL23634806 0.71 EPHX2 (0.45) EPHX2EPHX1OPRL1MAPTOPRK1
SCHEMBL9973603 0.70 PAOX (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 EPHX2 4292/4885EPHX1 4148/4885OPRL1 394/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EPHX2 4292/4885EPHX1 4148/4885OPRL1 394/4885

“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.