SCHEMBL16896194

SCHEMBL16896194

CC(C)(C)OC(=O)N1CCCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(CO)ccc32)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.64
▸ IRAK4 Q9NWZ3 6/20 0.59
▸ MAP3K7 O43318 5/20 0.59
▸ IRAK1 P51617 3/20 0.59
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2D6 P10635 1/20 0.51
▸ ITK Q08881 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
SCHEMBL16896195 1.00 EGFR (0.64) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16895485 0.94 EGFR (0.63) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16895483 0.94 EGFR (0.63) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16895542 0.91 EGFR (0.77) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16895541 0.91 EGFR (0.77) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16895848 0.90 IRAK4 (0.61) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16895849 0.90 IRAK4 (0.61) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16896008 0.89 EGFR (0.65) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16896010 0.89 EGFR (0.65) EGFRIRAK4MAP3K7IRAK1CYP3A4
SCHEMBL16901717 0.88 EGFR (0.78) EGFRIRAK4MAP3K7IRAK1CYP3A4

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 8 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
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US 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
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — 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 EGFR 1/4885IRAK4 1485/4885MAP3K7 183/4885

“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