SCHEMBL16895790

SCHEMBL16895790

COc1cccc2nc(NC(=O)c3ccnnc3)n(C3CCCCN(C(=O)C=CCN(C)C)C3)c12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.68
▸ CYP2D6 P10635 3/20 0.66
▸ CYP3A4 P08684 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ ITK Q08881 4/20 0.52
▸ CLK2 P49760 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CCNK O75909 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ FGFR1 P11362 2/20 0.40
▸ BTK Q06187 3/20 0.37
▸ LCK P06239 1/20 0.37

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
SCHEMBL16895786 1.00 EGFR (0.68) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895892 1.00 EGFR (0.68) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895888 1.00 EGFR (0.68) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895654 0.93 EGFR (0.66) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895896 0.93 EGFR (0.66) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895657 0.93 EGFR (0.66) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895891 0.93 EGFR (0.66) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895797 0.92 EGFR (0.81) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895793 0.92 EGFR (0.81) EGFRCYP2D6CYP3A4CYP2C9ITK
SCHEMBL16895565 0.92 EGFR (0.81) 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 7 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-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US 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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