SCHEMBL16895712

SCHEMBL16895712

CC(C)(C)OC(=O)N1CCCCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cccc(CN4CCCC4)c32)C1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2D6 P10635 3/20 0.60
▸ MAP3K7 O43318 5/20 0.51
▸ IRAK4 Q9NWZ3 5/20 0.51
▸ IRAK1 P51617 3/20 0.51

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
SCHEMBL19177679 0.90 EGFR (0.66) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16901730 0.90 EGFR (0.77) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16895369 0.87 EGFR (0.80) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16895781 0.87 EGFR (0.80) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16895488 0.84 EGFR (0.47) EGFRCYP3A4CYP2C9CYP2D6
SCHEMBL16895489 0.84 EGFR (0.47) EGFRCYP3A4CYP2C9CYP2D6
SCHEMBL16901733 0.83 EGFR (0.51) EGFRCYP3A4CYP2C9CYP2D6
SCHEMBL16901717 0.83 EGFR (0.78) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16901729 0.83 EGFR (0.56) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16896031 0.82 EGFR (0.50) EGFRCYP3A4CYP2C9CYP2D6

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 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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