SCHEMBL6976545

SCHEMBL6976545

CC(C)=NOC[C@@H]1CCCN1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.43
▸ CHRNA4 P43681 3/20 0.43
▸ CHRNB4 P30926 3/20 0.43
▸ CHRNA3 P32297 3/20 0.43
▸ CHRNA5 P30532 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43

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
SCHEMBL6977643 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL6955297 0.83 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL6978488 0.81 GBA1 (0.37) —
SCHEMBL6978998 0.80 SPHK2 (0.33) —
SCHEMBL6976358 0.80 SPHK2 (0.33) —
SCHEMBL6978783 0.77 — —
SCHEMBL6955610 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL6958258 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL6977272 0.74 LTA4H (0.43) CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL6980250 0.74 LTA4H (0.43) CHRNB2CHRNA4CHRNA5CHRNA7

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 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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