SCHEMBL16896121

SCHEMBL16896121

Cc1cccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n([C@@H]3CCCCN(C(=O)/C=C/CN(C)C)C3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 1.00
▸ CYP2D6 P10635 3/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CLK2 P49760 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ ITK Q08881 1/20 0.48
▸ MAP3K7 O43318 2/20 0.46
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ IRAK1 P51617 1/20 0.44

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
SCHEMBL16895785 1.00 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895783 1.00 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16896123 1.00 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895995 0.93 EGFR (0.86) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895998 0.93 EGFR (0.86) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895763 0.93 EGFR (0.86) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895766 0.93 EGFR (0.86) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL19720592 0.92 EGFR (0.84) EGFRCYP2D6CYP3A4CYP2C9MAP3K7
SCHEMBL16895980 0.91 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16896057 0.91 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2

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 6 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 claimed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — US claimed
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-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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