SCHEMBL16895540

SCHEMBL16895540

C=CC(=O)N1CCC[C@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(C)ccc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 1.00
▸ CYP3A4 P08684 2/20 0.75
▸ CYP2C9 P11712 2/20 0.75
▸ CYP2D6 P10635 1/20 0.59
▸ ITK Q08881 2/20 0.58
▸ BTK Q06187 1/20 0.54
▸ MAP3K7 O43318 1/20 0.52
▸ IRAK1 P51617 1/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.52

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
SCHEMBL17114633 1.00 EGFR (1.00) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL17114635 1.00 EGFR (1.00) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895771 1.00 EGFR (1.00) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895914 1.00 EGFR (1.00) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16896160 0.98 EGFR (1.00) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895638 0.95 EGFR (0.91) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895628 0.94 EGFR (0.94) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895919 0.92 EGFR (0.85) EGFRCYP3A4CYP2C9CYP2D6MAP3K7
SCHEMBL16901767 0.92 EGFR (0.85) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895746 0.91 EGFR (0.83) EGFRCYP3A4CYP2C9CYP2D6ITK

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 13 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 claimed
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
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
WO-2015145388-A2 METHODS OF TREATING COLORECTAL CANCERS HARBORING UPSTREAM WNT PATHWAY MUTATIONS NOVARTIS AG (CH) 2015-10-01 — — WO 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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