SCHEMBL16895849

SCHEMBL16895849

CC(C)(C)OC(=O)N1CCC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(CN4CCOCC4)ccc32)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.61
▸ MAP3K7 O43318 4/20 0.61
▸ IRAK1 P51617 3/20 0.61
▸ EGFR P00533 14/20 0.59
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL16895848 1.00 IRAK4 (0.61) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16896195 0.90 EGFR (0.64) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16896194 0.90 EGFR (0.64) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16895483 0.89 EGFR (0.63) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16895485 0.89 EGFR (0.63) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16895868 0.88 EGFR (0.74) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16895917 0.88 EGFR (0.74) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16895541 0.86 EGFR (0.77) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16895542 0.86 EGFR (0.77) IRAK4MAP3K7IRAK1EGFRCYP3A4
SCHEMBL16896008 0.85 EGFR (0.65) IRAK4MAP3K7IRAK1EGFRCYP3A4

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-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 IRAK4 1485/4885MAP3K7 183/4885IRAK1 1352/4885

“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.

Send feedback