SCHEMBL16901759

SCHEMBL16901759

CC(C)(C)OC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(P(C)(C)=O)c3)nc3cccc(Cl)c32)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ ITK Q08881 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.38
▸ TNF P01375 1/20 0.36
▸ LITAF Q99732 1/20 0.36

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
SCHEMBL16895935 0.91 EGFR (0.70) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16791246 0.91 EGFR (0.70) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16896159 0.90 EGFR (0.55) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16896157 0.90 EGFR (0.55) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901745 0.86 EGFR (0.54) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19720769 0.86 EGFR (0.45) EGFRCYP2D6CYP3A4CYP2C9USP30
SCHEMBL16895723 0.86 EGFR (0.59) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895722 0.86 EGFR (0.59) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895961 0.84 EGFR (0.69) EGFRCYP2D6CYP3A4CYP2C9USP30
SCHEMBL16895963 0.84 EGFR (0.69) EGFRCYP2D6CYP3A4CYP2C9USP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EGFR 1/4885CYP2D6 4785/4885CYP3A4 4848/4885

“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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