SCHEMBL6958880

SCHEMBL6958880

C/C(=N\OC[C@@H]1CCCN1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 6/20 0.37
▸ CHRNA3 P32297 6/20 0.37
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNA5 P30532 1/20 0.35

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
SCHEMBL6976643 0.83 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL6979232 0.83 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL6959571 0.81 CHRNB4 (0.37) CHRNB4CHRNA3CCNE1CDK2CDK1
SCHEMBL6976822 0.79 LTA4H (0.34) —
SCHEMBL6980143 0.79 CHRNB4 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA5
SCHEMBL6959496 0.78 CCNE1 (0.35) CHRNB4CHRNA3CCNE1CDK2CDK1
SCHEMBL6955594 0.78 CCNE1 (0.35) CHRNB4CHRNA3CCNE1CDK2CDK1
SCHEMBL19121074 0.78 CCNE1 (0.35) CHRNB4CHRNA3CCNE1CDK2CDK1
SCHEMBL9975285 0.77 IRAK4 (0.39) IRAK4
SCHEMBL9975260 0.77 IRAK4 (0.39) IRAK4

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 CHRNB4 1621/4885CHRNA3 1725/4885CCNE1 631/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 CHRNB4 1621/4885CHRNA3 1725/4885CCNE1 631/4885

“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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