SCHEMBL16895907

SCHEMBL16895907

Cc1cc(C(=O)Nc2nc3cccc(C)c3n2[C@@H]2CCCN(C(=O)C=CCN(C)C)C2)ccn1

nearest known ligand 0.96

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.96
▸ CYP2D6 P10635 3/20 0.84
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ CLK2 P49760 1/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ ITK Q08881 3/20 0.51
▸ BTK Q06187 3/20 0.41
▸ BLK P51451 2/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40

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
SCHEMBL16896077 1.00 EGFR (0.96) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895905 1.00 EGFR (0.96) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16896080 1.00 EGFR (0.96) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895486 0.98 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895487 0.98 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895958 0.98 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
SCHEMBL16895960 0.98 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
Nazartinib SCHEMBL16767232 0.92 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
Nazartinib SCHEMBL16767240 0.92 EGFR (1.00) EGFRCYP2D6CYP3A4CYP2C9CLK2
Nazartinib SCHEMBL16767238 0.92 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 12 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-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-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 1/4885CYP2D6 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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