SCHEMBL16895706

SCHEMBL16895706

C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnnc3)nc3cccc(C)c32)C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ CYP2D6 P10635 3/20 0.59
▸ ITK Q08881 9/20 0.55
▸ BTK Q06187 5/20 0.44
▸ TEC P42680 3/20 0.44
▸ TXK P42681 3/20 0.44
▸ HCK P08631 2/20 0.41

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
SCHEMBL16895877 1.00 EGFR (0.72) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16896170 0.91 EGFR (0.60) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16896029 0.91 EGFR (0.60) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895992 0.91 EGFR (0.60) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895620 0.91 EGFR (0.60) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16901763 0.90 EGFR (0.58) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895834 0.89 EGFR (0.79) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895365 0.89 EGFR (0.72) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895621 0.89 EGFR (0.72) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895653 0.89 EGFR (0.58) 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 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-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
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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