SCHEMBL6960579

SCHEMBL6960579

CC(C)CCNCCOC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
TSHR P16473 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALOX15 P16050 1/20 0.37
ANPEP P15144 3/20 0.36
RNPEP Q9H4A4 2/20 0.36

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
SCHEMBL23045236 0.83 LMNA (0.46) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL21322191 0.82 SCN1A (0.57) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL23045228 0.80 LMNA (0.42) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL25554607 0.79 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL224100 0.79
SCHEMBL20094988 0.78 ALOX15 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL28534458 0.77 SCN1A (0.44) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL28534459 0.77 SCN1A (0.44) CHRNB2CHRNA4CHRNB4CHRNA3SCN1A
SCHEMBL11135459 0.77 TSHR (0.52) SCN1ASCN2ASCN3ATSHRANPEP
SCHEMBL222547 0.75 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3TSHR

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 CHRNB2 1456/4885CHRNA4 1728/4885CHRNB4 1621/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 CHRNB2 1456/4885CHRNA4 1728/4885CHRNB4 1621/4885

“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.