SCHEMBL6980214

SCHEMBL6980214

CC/C(C)=N\OCCNC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL15304811 0.92 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6980139 0.85 KDM4E (0.41) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6958872 0.80 KDM4E (0.43) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6979441 0.79 KDM4E (0.41) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL14878205 0.78 KDM4E (0.37) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6959092 0.77 KDM4E (0.46) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6978880 0.75 KDM4E (0.34) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6976911 0.72 OPRL1 (0.33) CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL6979961 0.71 KDM4E (0.41) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL6978849 0.71

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 5 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

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 CYP1A2 1375/4885CYP2D6 1566/4885CYP2C19 554/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 CYP1A2 1375/4885CYP2D6 1566/4885CYP2C19 554/4885

“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.