SCHEMBL16895673

SCHEMBL16895673

Cc1cccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)n([C@@H]3COCCN(C(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.63
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2D6 P10635 2/20 0.56
▸ RAF1 P04049 4/20 0.48
▸ BRAF P15056 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAP3K7 O43318 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL16895898 1.00 EGFR (0.63) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16895671 1.00 EGFR (0.63) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16901730 0.88 EGFR (0.77) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16896131 0.87 EGFR (0.78) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16896089 0.87 EGFR (0.78) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16895857 0.87 EGFR (0.78) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16895596 0.83 EGFR (0.80) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16895594 0.83 EGFR (0.80) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16895421 0.83 EGFR (0.80) EGFRCYP3A4CYP2C9CYP2D6RAF1
SCHEMBL16895954 0.83 EGFR (0.80) EGFRCYP3A4CYP2C9CYP2D6RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CYP3A4 4848/4885CYP2C9 4791/4885

“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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