SCHEMBL6977292

SCHEMBL6977292

CC(C)=NOCCNCCOC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA7 P36544 1/20 0.37
ALOX15 P16050 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CD274 Q9NZQ7 2/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
MAPT P10636 1/20 0.31
PDCD1 Q15116 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
SCHEMBL15304809 0.81 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23045236 0.80 LMNA (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6974973 0.76 PAOX (0.40) LMNATSHRALOX15
SCHEMBL6978844 0.75 TSHR (0.36) TSHRCYP2C19ALOX15
SCHEMBL20094988 0.75 ALOX15 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6955438 0.75 SCN1A (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23045228 0.73 LMNA (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5250838 0.72
SCHEMBL14445313 0.72 TSHR (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1246711 0.72 CA12 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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 CHRM2 757/4885CHRM4 1005/4885CHRM5 1078/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 CHRM2 757/4885CHRM4 1005/4885CHRM5 1078/4885

“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.