SCHEMBL6977415

SCHEMBL6977415

CC(C)=NOC[C@@H]1CCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ PDK2 Q15119 3/20 0.34
▸ IRAK1 P51617 1/20 0.34

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
SCHEMBL6980226 1.00 IRAK4 (0.38) IRAK4KCNH2PDK2IRAK1
SCHEMBL15304774 0.79 CD274 (0.38) —
SCHEMBL6977550 0.78 — —
SCHEMBL6980420 0.78 — —
SCHEMBL6960378 0.76 IRAK4 (0.36) IRAK4KCNH2
SCHEMBL6959488 0.76 IRAK4 (0.36) IRAK4KCNH2
SCHEMBL12409742 0.74 — —
SCHEMBL9865753 0.74 — —
SCHEMBL12459955 0.74 — —
Hydrochloric Acid SCHEMBL27036387 0.73 IRAK4 (0.39) IRAK4PDK2IRAK1

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 2 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 — — 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 (1 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 IRAK4 1421/4885KCNH2 1995/4885PDK2 1607/4885

“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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