SCHEMBL16791246

SCHEMBL16791246

Cc1cc(C(=O)Nc2nc3cccc(Cl)c3n2[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.70
▸ CYP2D6 P10635 3/20 0.70
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ ITK Q08881 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ ACKR3 P25106 1/20 0.39

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 1.00 EGFR (0.70) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895961 0.93 EGFR (0.69) EGFRCYP2D6CYP3A4CYP2C9USP30
SCHEMBL16895963 0.93 EGFR (0.69) EGFRCYP2D6CYP3A4CYP2C9USP30
SCHEMBL16895722 0.93 EGFR (0.59) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895723 0.93 EGFR (0.59) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19037552 0.91 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16901759 0.91 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL18681338 0.91 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL20506849 0.91 EGFR (0.58) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL19037553 0.90 EGFR (0.59) EGFRCYP2D6CYP3A4CYP2C9ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS PHARMA AG (CH) 2018-06-07 — — US disclosed
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS PHARMA AG (CH) 2018-06-07 — — US disclosed
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS PHARMA AG (CH) 2018-06-07 — — US disclosed
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-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
WO-2015081463-A1 EGFR INHIBITOR FORMS NOVARTIS AG (CH) 2015-06-11 — — WO 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 (2 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
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NR3C2, PTMS, CYP2C19 EGFR 2493/4885CYP2D6 40/4885CYP3A4 27/4885

“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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