SCHEMBL6978846

SCHEMBL6978846

CC(C)=NOC[C@H]1COCCN1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL6976999 1.00 IRAK4 (0.34) IRAK4CNR2
SCHEMBL9975285 0.84 IRAK4 (0.39) IRAK4
SCHEMBL9975260 0.84 IRAK4 (0.39) IRAK4
SCHEMBL14548690 0.83 IRAK4 (0.32) IRAK4
SCHEMBL6978053 0.83 IRAK4 (0.32) IRAK4
SCHEMBL14878204 0.82 IRAK4 (0.31) IRAK4
SCHEMBL14878201 0.82 IRAK4 (0.31) IRAK4
SCHEMBL15304826 0.78 — —
SCHEMBL6956713 0.76 IRAK4 (0.34) IRAK4
SCHEMBL6958666 0.76 IRAK4 (0.34) 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 5 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2011-10-20 — — 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 (3 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE ABL1, MAP2K5, MAP2K2 IRAK4 690/4885CNR2 1209/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 IRAK4 1421/4885CNR2 491/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 IRAK4 1421/4885CNR2 491/4885

“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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