SCHEMBL6958258

SCHEMBL6958258

CC#C/C(=N\OC[C@@H]1CCCN1C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.36
▸ CHRNA4 P43681 4/20 0.36
▸ CHRNB4 P30926 3/20 0.36
▸ CHRNA3 P32297 3/20 0.36
▸ CHRNA5 P30532 2/20 0.36
▸ CHRNA7 P36544 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
SCHEMBL6955610 1.00 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL6958631 0.85 HRH3 (0.32) —
SCHEMBL6959114 0.85 CHRM3 (0.30) —
SCHEMBL6958274 0.85 CHRM3 (0.30) —
SCHEMBL6959695 0.84 L3MBTL1 (0.38) —
SCHEMBL6956306 0.83 — —
SCHEMBL6959693 0.81 — —
SCHEMBL6959791 0.81 — —
SCHEMBL9973609 0.80 LTA4H (0.37) —
SCHEMBL9973608 0.80 LTA4H (0.37) —

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.

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