SCHEMBL16895652

SCHEMBL16895652

Cc1cc(C(=O)Nc2nc3cccc(C)c3n2C2CCCCN(C(=O)OC(C)(C)C)C2)cc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2D6 P10635 3/20 0.55
▸ ITK Q08881 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ OPRM1 P35372 3/20 0.38
▸ OGFRL1 Q5TC84 3/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ ADAM17 P78536 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
SCHEMBL16895651 1.00 EGFR (0.59) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895722 0.93 EGFR (0.59) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895723 0.93 EGFR (0.59) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895961 0.92 EGFR (0.69) EGFRCYP3A4CYP2C9CYP2D6USP30
SCHEMBL16895963 0.92 EGFR (0.69) EGFRCYP3A4CYP2C9CYP2D6USP30
SCHEMBL16901730 0.88 EGFR (0.77) EGFRCYP3A4CYP2C9CYP2D6
SCHEMBL16901732 0.88 EGFR (0.46) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16896157 0.87 EGFR (0.55) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16896159 0.87 EGFR (0.55) EGFRCYP3A4CYP2C9CYP2D6ITK
SCHEMBL16895595 0.86 EGFR (0.47) 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 4 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
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 1/4885CYP3A4 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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